N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine

C17H29N3 — CID 102880165

IUPACN-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(Cc2cncc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-4-7-19-15(3)17-5-8-20(9-6-17)13-16-10-14(2)11-18-12-16/h10-12,15,17,19H,4-9,13H2,1-3H3
InChIKeyKLNJCAWTSBLXIY-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds6

About N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine

N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine (PubChem CID 102880165) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine
PubChem CID102880165
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(Cc2cncc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-4-7-19-15(3)17-5-8-20(9-6-17)13-16-10-14(2)11-18-12-16/h10-12,15,17,19H,4-9,13H2,1-3H3
InChIKeyKLNJCAWTSBLXIY-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-fluorophenyl)-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 124621837
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
N-[cyclopentyl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374362
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
CID 55256674
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
N-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]propan-1-amine
CID 63855015

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine (CID 102880165) is N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine is CCCNC(C)C1CCN(Cc2cncc(C)c2)CC1.
What is the InChIKey of N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine?
The InChIKey is KLNJCAWTSBLXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-7-19-15(3)17-5-8-20(9-6-17)13-16-10-14(2)11-18-12-16/h10-12,15,17,19H,4-9,13H2,1-3H3.
What are the key properties of N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine?
N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 102880165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).