1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine

C17H29N3 — CID 115939163

IUPAC1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C17H29N3/c1-4-10-18-16(5-2)17-7-6-15(13-19-17)20-11-8-14(3)9-12-20/h6-7,13-14,16,18H,4-5,8-12H2,1-3H3
InChIKeyZDZRCWQCNRDQME-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds6

About 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine

1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine (PubChem CID 115939163) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
PubChem CID115939163
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(N2CCC(C)CC2)cn1
InChIInChI=1S/C17H29N3/c1-4-10-18-16(5-2)17-7-6-15(13-19-17)20-11-8-14(3)9-12-20/h6-7,13-14,16,18H,4-5,8-12H2,1-3H3
InChIKeyZDZRCWQCNRDQME-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 115939578
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83122477
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine (CID 115939163) is 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(N2CCC(C)CC2)cn1.
What is the InChIKey of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine?
The InChIKey is ZDZRCWQCNRDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-10-18-16(5-2)17-7-6-15(13-19-17)20-11-8-14(3)9-12-20/h6-7,13-14,16,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine?
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115939163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).