N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine

C17H28N2O — CID 63903014

IUPACN-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine
SMILESCc1ccc(CN(C)CCCOC2CCNCC2)cc1
InChIInChI=1S/C17H28N2O/c1-15-4-6-16(7-5-15)14-19(2)12-3-13-20-17-8-10-18-11-9-17/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyWSANUKPTARBLHX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine

N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine (PubChem CID 63903014) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine
PubChem CID63903014
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine
SMILESCc1ccc(CN(C)CCCOC2CCNCC2)cc1
InChIInChI=1S/C17H28N2O/c1-15-4-6-16(7-5-15)14-19(2)12-3-13-20-17-8-10-18-11-9-17/h4-7,17-18H,3,8-14H2,1-2H3
InChIKeyWSANUKPTARBLHX-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-piperidin-4-yloxyethanamine
CID 63903578
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-yloxypropan-1-amine
CID 63902834
N,2-dimethyl-N-(3-piperidin-4-yloxypropyl)propan-1-amine
CID 63905483
N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
CID 81056642
1-(3-cyclohexyloxypropyl)-4-methylbenzene
CID 59931440
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-3-one
CID 106801306
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
CID 28803106
ethane;2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 143902975
N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211655
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine (CID 63903014) is N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine is Cc1ccc(CN(C)CCCOC2CCNCC2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine?
The InChIKey is WSANUKPTARBLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-4-6-16(7-5-15)14-19(2)12-3-13-20-17-8-10-18-11-9-17/h4-7,17-18H,3,8-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine?
N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-3-piperidin-4-yloxypropan-1-amine is sourced from PubChem (CID 63903014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).