N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine

C18H30N2 — CID 81043704

IUPACN-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
SMILESCCN(CCC(C)C1CCCNC1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(15-17-8-5-4-6-9-17)13-11-16(2)18-10-7-12-19-14-18/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyWOBCQGNXJMOWGW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.53
Rot. Bonds7

About N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine

N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine (PubChem CID 81043704) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
PubChem CID81043704
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
SMILESCCN(CCC(C)C1CCCNC1)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-20(15-17-8-5-4-6-9-17)13-11-16(2)18-10-7-12-19-14-18/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyWOBCQGNXJMOWGW-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81048888
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine (CID 81043704) is N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine is CCN(CCC(C)C1CCCNC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine?
The InChIKey is WOBCQGNXJMOWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-20(15-17-8-5-4-6-9-17)13-11-16(2)18-10-7-12-19-14-18/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine?
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81043704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).