[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine

C18H30N2 — CID 103351865

IUPAC[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCC(CC)CC1CN
InChIInChI=1S/C18H30N2/c1-3-8-18(16-9-6-5-7-10-16)20-12-11-15(4-2)13-17(20)14-19/h5-7,9-10,15,17-18H,3-4,8,11-14,19H2,1-2H3
InChIKeyFBFWONGHEFYUAC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.98
Rot. Bonds6

About [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine

[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine (PubChem CID 103351865) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
PubChem CID103351865
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
SMILESCCCC(c1ccccc1)N1CCC(CC)CC1CN
InChIInChI=1S/C18H30N2/c1-3-8-18(16-9-6-5-7-10-16)20-12-11-15(4-2)13-17(20)14-19/h5-7,9-10,15,17-18H,3-4,8,11-14,19H2,1-2H3
InChIKeyFBFWONGHEFYUAC-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-phenylbutan-1-one
CID 103352210
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
CID 103353273
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353345

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine (CID 103351865) is [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine is CCCC(c1ccccc1)N1CCC(CC)CC1CN.
What is the InChIKey of [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
The InChIKey is FBFWONGHEFYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-8-18(16-9-6-5-7-10-16)20-12-11-15(4-2)13-17(20)14-19/h5-7,9-10,15,17-18H,3-4,8,11-14,19H2,1-2H3.
What are the key properties of [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine has a molecular weight of 274.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103351865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).