N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine

C16H27N3 — CID 131951338

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(NCc2ccc(CC)cn2)C1
InChIInChI=1S/C16H27N3/c1-3-9-19-10-5-6-16(13-19)18-12-15-8-7-14(4-2)11-17-15/h7-8,11,16,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyFKUMBQZLWPYPQQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.61
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine

N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine (PubChem CID 131951338) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine
PubChem CID131951338
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(NCc2ccc(CC)cn2)C1
InChIInChI=1S/C16H27N3/c1-3-9-19-10-5-6-16(13-19)18-12-15-8-7-14(4-2)11-17-15/h7-8,11,16,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyFKUMBQZLWPYPQQ-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186978
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine (CID 131951338) is N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine is CCCN1CCCC(NCc2ccc(CC)cn2)C1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine?
The InChIKey is FKUMBQZLWPYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-9-19-10-5-6-16(13-19)18-12-15-8-7-14(4-2)11-17-15/h7-8,11,16,18H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine?
N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine is sourced from PubChem (CID 131951338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).