N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine

C21H34N2 — CID 83993954

IUPACN-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCc2ccccc2)CN(C(C)C2CCC2)C1
InChIInChI=1S/C21H34N2/c1-16(2)20-12-21(22-13-18-8-5-4-6-9-18)15-23(14-20)17(3)19-10-7-11-19/h4-6,8-9,16-17,19-22H,7,10-15H2,1-3H3
InChIKeyMSFRJRDSZSRYAJ-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.31
Rot. Bonds6

About N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine

N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine (PubChem CID 83993954) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
PubChem CID83993954
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)C1CC(NCc2ccccc2)CN(C(C)C2CCC2)C1
InChIInChI=1S/C21H34N2/c1-16(2)20-12-21(22-13-18-8-5-4-6-9-18)15-23(14-20)17(3)19-10-7-11-19/h4-6,8-9,16-17,19-22H,7,10-15H2,1-3H3
InChIKeyMSFRJRDSZSRYAJ-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
CID 83993929
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
N-cyclopropyl-1-(1-cyclopropylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83991856
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
benzene;N-benzylcyclohexanamine
CID 142622843
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine?
The IUPAC name of N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine (CID 83993954) is N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine?
The canonical SMILES for N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine is CC(C)C1CC(NCc2ccccc2)CN(C(C)C2CCC2)C1.
What is the InChIKey of N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine?
The InChIKey is MSFRJRDSZSRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-16(2)20-12-21(22-13-18-8-5-4-6-9-18)15-23(14-20)17(3)19-10-7-11-19/h4-6,8-9,16-17,19-22H,7,10-15H2,1-3H3.
What are the key properties of N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine?
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine has a molecular weight of 314.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83993954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).