N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

C17H29N3O — CID 63854408

IUPACN-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2cccc(OCC)n2)CC1
InChIInChI=1S/C17H29N3O/c1-4-11-18-14(3)15-9-12-20(13-10-15)16-7-6-8-17(19-16)21-5-2/h6-8,14-15,18H,4-5,9-13H2,1-3H3
InChIKeyKPBSFWLMELSMIC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds7

About N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (PubChem CID 63854408) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
PubChem CID63854408
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2cccc(OCC)n2)CC1
InChIInChI=1S/C17H29N3O/c1-4-11-18-14(3)15-9-12-20(13-10-15)16-7-6-8-17(19-16)21-5-2/h6-8,14-15,18H,4-5,9-13H2,1-3H3
InChIKeyKPBSFWLMELSMIC-UHFFFAOYSA-N
XLogP3.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 55256674
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
1-(6-methoxy-2-pyridinyl)-N-propylpiperidin-4-amine
CID 63588941
N-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]-1-methylcyclopropane-1-sulfonamide
CID 136572679
N-[1-[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]ethyl]propan-1-amine
CID 63855261
N-[1-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)ethyl]propan-1-amine
CID 102625114
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (CID 63854408) is N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is CCCNC(C)C1CCN(c2cccc(OCC)n2)CC1.
What is the InChIKey of N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The InChIKey is KPBSFWLMELSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-11-18-14(3)15-9-12-20(13-10-15)16-7-6-8-17(19-16)21-5-2/h6-8,14-15,18H,4-5,9-13H2,1-3H3.
What are the key properties of N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63854408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).