1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine

C17H29N3 — CID 43308271

IUPAC1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)c2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-4-10-20-11-7-16(8-12-20)14(2)19-15(3)17-6-5-9-18-13-17/h5-6,9,13-16,19H,4,7-8,10-12H2,1-3H3
InChIKeyOCOXYQMNJZFXAF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.24
Rot. Bonds6

About 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine

1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine (PubChem CID 43308271) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
PubChem CID43308271
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)c2cccnc2)CC1
InChIInChI=1S/C17H29N3/c1-4-10-20-11-7-16(8-12-20)14(2)19-15(3)17-6-5-9-18-13-17/h5-6,9,13-16,19H,4,7-8,10-12H2,1-3H3
InChIKeyOCOXYQMNJZFXAF-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
(1R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyridin-3-ylethanamine
CID 82891931
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
2-[4-[dimethylamino(pyridin-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907378
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine (CID 43308271) is 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine is CCCN1CCC(C(C)NC(C)c2cccnc2)CC1.
What is the InChIKey of 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine?
The InChIKey is OCOXYQMNJZFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-10-20-11-7-16(8-12-20)14(2)19-15(3)17-6-5-9-18-13-17/h5-6,9,13-16,19H,4,7-8,10-12H2,1-3H3.
What are the key properties of 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine?
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 43308271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).