N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine

C20H29N3 — CID 142905256

IUPACN-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine
SMILESCCCN(C)C1CCN(c2cc(C)c3c(n2)C=CC=CC3)CC1
InChIInChI=1S/C20H29N3/c1-4-12-22(3)17-10-13-23(14-11-17)20-15-16(2)18-8-6-5-7-9-19(18)21-20/h5-7,9,15,17H,4,8,10-14H2,1-3H3
InChIKeyNHLCEYNCZYDSND-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.83
Rot. Bonds4

About N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine

N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine (PubChem CID 142905256) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine
PubChem CID142905256
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine
SMILESCCCN(C)C1CCN(c2cc(C)c3c(n2)C=CC=CC3)CC1
InChIInChI=1S/C20H29N3/c1-4-12-22(3)17-10-13-23(14-11-17)20-15-16(2)18-8-6-5-7-9-19(18)21-20/h5-7,9,15,17H,4,8,10-14H2,1-3H3
InChIKeyNHLCEYNCZYDSND-UHFFFAOYSA-N
XLogP3.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?
The IUPAC name of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine (CID 142905256) is N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine is CCCN(C)C1CCN(c2cc(C)c3c(n2)C=CC=CC3)CC1.
What is the InChIKey of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?
The InChIKey is NHLCEYNCZYDSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-4-12-22(3)17-10-13-23(14-11-17)20-15-16(2)18-8-6-5-7-9-19(18)21-20/h5-7,9,15,17H,4,8,10-14H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?
N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 311.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 142905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).