1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine

C17H29N3 — CID 81405583

IUPAC1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
SMILESCCCN1CCC(C(C)N[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C17H29N3/c1-4-11-20-12-7-17(8-13-20)15(3)19-14(2)16-5-9-18-10-6-16/h5-6,9-10,14-15,17,19H,4,7-8,11-13H2,1-3H3/t14-,15?/m0/s1
InChIKeyMNAXRBRKKCNIBC-MLCCFXAWSA-N
MW275.44 g/mol
LogP3.24
Rot. Bonds6

About 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine

1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine (PubChem CID 81405583) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
PubChem CID81405583
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
SMILESCCCN1CCC(C(C)N[C@@H](C)c2ccncc2)CC1
InChIInChI=1S/C17H29N3/c1-4-11-20-12-7-17(8-13-20)15(3)19-14(2)16-5-9-18-10-6-16/h5-6,9-10,14-15,17,19H,4,7-8,11-13H2,1-3H3/t14-,15?/m0/s1
InChIKeyMNAXRBRKKCNIBC-MLCCFXAWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine?
The IUPAC name of 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine (CID 81405583) is 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine is CCCN1CCC(C(C)N[C@@H](C)c2ccncc2)CC1.
What is the InChIKey of 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine?
The InChIKey is MNAXRBRKKCNIBC-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-11-20-12-7-17(8-13-20)15(3)19-14(2)16-5-9-18-10-6-16/h5-6,9-10,14-15,17,19H,4,7-8,11-13H2,1-3H3/t14-,15?/m0/s1.
What are the key properties of 1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine?
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-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-[(1S)-1-pyridin-4-ylethyl]ethanamine is sourced from PubChem (CID 81405583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).