1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine

C16H27N3 — CID 55089337

IUPAC1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCC(CNc1ccccc1)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-14(13-17-15-7-5-4-6-8-15)19-11-9-16(10-12-19)18(2)3/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyOZSAVXRBYOLNMT-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.51
Rot. Bonds5

About 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine

1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 55089337) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID55089337
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCC(CNc1ccccc1)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H27N3/c1-14(13-17-15-7-5-4-6-8-15)19-11-9-16(10-12-19)18(2)3/h4-8,14,16-17H,9-13H2,1-3H3
InChIKeyOZSAVXRBYOLNMT-UHFFFAOYSA-N
XLogP2.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine (CID 55089337) is 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine is CC(CNc1ccccc1)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is OZSAVXRBYOLNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(13-17-15-7-5-4-6-8-15)19-11-9-16(10-12-19)18(2)3/h4-8,14,16-17H,9-13H2,1-3H3.
What are the key properties of 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine?
1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55089337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).