N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine

C18H30N2 — CID 2057989

IUPACN-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
SMILESCCCCN(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-13-19(2)18-11-15-20(16-12-18)14-10-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyAAZHFZSDKNSRIJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.43
Rot. Bonds7

About N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine

N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 2057989) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
PubChem CID2057989
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
SMILESCCCCN(C)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-13-19(2)18-11-15-20(16-12-18)14-10-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3
InChIKeyAAZHFZSDKNSRIJ-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
N-methyl-1-(2-phenylethyl)-N-pyrrolidin-3-ylpiperidin-4-amine
CID 63298235
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine (CID 2057989) is N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine is CCCCN(C)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is AAZHFZSDKNSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-13-19(2)18-11-15-20(16-12-18)14-10-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine?
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 2057989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).