N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

C29H55N5 — CID 67713938

IUPACN-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESC=CCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H55N5/c1-6-7-28(29(24-8-16-30(2)17-9-24)25-10-18-31(3)19-11-25)34(26-12-20-32(4)21-13-26)27-14-22-33(5)23-15-27/h6,24-29H,1,7-23H2,2-5H3
InChIKeyJPSJAGLHLNVRSV-UHFFFAOYSA-N
MW473.79 g/mol
LogP3.72
Rot. Bonds8

About N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine

N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (PubChem CID 67713938) has the molecular formula C29H55N5 and a molecular weight of 473.79 g/mol. Its IUPAC name is N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
PubChem CID67713938
Molecular FormulaC29H55N5
Molecular Weight473.79 g/mol
Exact Mass473.45
IUPAC NameN-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
SMILESC=CCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C29H55N5/c1-6-7-28(29(24-8-16-30(2)17-9-24)25-10-18-31(3)19-11-25)34(26-12-20-32(4)21-13-26)27-14-22-33(5)23-15-27/h6,24-29H,1,7-23H2,2-5H3
InChIKeyJPSJAGLHLNVRSV-UHFFFAOYSA-N
XLogP3.72
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine (CID 67713938) is N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is C=CCC(C(C1CCN(C)CC1)C1CCN(C)CC1)N(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
The InChIKey is JPSJAGLHLNVRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N5/c1-6-7-28(29(24-8-16-30(2)17-9-24)25-10-18-31(3)19-11-25)34(26-12-20-32(4)21-13-26)27-14-22-33(5)23-15-27/h6,24-29H,1,7-23H2,2-5H3.
What are the key properties of N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine?
N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine has a molecular weight of 473.79 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-bis(1-methylpiperidin-4-yl)pent-4-en-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 67713938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).