N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine

C56H117N13 — CID 162097461

About N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine

N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine (PubChem CID 162097461) has the molecular formula C56H117N13 and a molecular weight of 972.64 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
• PubChem CID: 162097461
• Molecular Formula: C56H117N13
• Molecular Weight: 972.64 g/mol
• Exact Mass: 971.96
• IUPAC Name: N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
• SMILES: CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCN(C)CC2)C1.CC(C)N1CCN(C2CCN(C(C)C)C2)CC1
• InChI: InChI=1S/C14H29N3.C12H25N3.C11H23N3.C10H22N2.C9H18N2/c1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4;1-11(2)15-5-4-12(10-15)14-8-6-13(3)7-9-14;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)11-6-8-4-9(11)5-10(8)3/h12-14H,5-11H2,1-4H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;7-9H,4-6H2,1-3H3
• InChIKey: ZELBWECPHBKYBD-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 42.12 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	972.64
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?

The IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine (CID 162097461) is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine.

What is the SMILES notation for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?

The canonical SMILES for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine is CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCN(C)CC2)C1.CC(C)N1CCN(C2CCN(C(C)C)C2)CC1.

What is the InChIKey of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?

The InChIKey is ZELBWECPHBKYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C12H25N3.C11H23N3.C10H22N2.C9H18N2/c1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4;1-11(2)15-5-4-12(10-15)14-8-6-13(3)7-9-14;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)11-6-8-4-9(11)5-10(8)3/h12-14H,5-11H2,1-4H3;11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;7-9H,4-6H2,1-3H3.

What are the key properties of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?

N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine has a molecular weight of 972.64 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine;1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 162097461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).