1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine

C17H26N2 — CID 66044031

IUPAC1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
SMILESC=C(CC)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2/c1-3-15(2)12-18-17-10-7-11-19(14-17)13-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-14H2,1H3
InChIKeyWKEZDRVDCCEKCK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.21
Rot. Bonds6

About 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine

1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine (PubChem CID 66044031) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
PubChem CID66044031
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
SMILESC=C(CC)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H26N2/c1-3-15(2)12-18-17-10-7-11-19(14-17)13-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-14H2,1H3
InChIKeyWKEZDRVDCCEKCK-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399779
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine (CID 66044031) is 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine is C=C(CC)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine?
The InChIKey is WKEZDRVDCCEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-15(2)12-18-17-10-7-11-19(14-17)13-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-14H2,1H3.
What are the key properties of 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine?
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine is sourced from PubChem (CID 66044031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).