N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine

C16H26N2 — CID 18804080

IUPACN-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(C(C)CNCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-14-8-10-18(11-9-14)15(2)12-17-13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyMDOSPNSEQLKQLZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds5

About N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine

N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 18804080) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID18804080
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(C(C)CNCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-14-8-10-18(11-9-14)15(2)12-17-13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyMDOSPNSEQLKQLZ-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804081
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-methylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62556941
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
3-(azepan-1-yl)-N-benzylbutan-1-amine
CID 91402380
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine (CID 18804080) is N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine is CC1CCN(C(C)CNCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is MDOSPNSEQLKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-8-10-18(11-9-14)15(2)12-17-13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine?
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 18804080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).