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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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).