2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine

C16H26N2 — CID 79707906

IUPAC2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCNCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(2)16(15-6-4-3-5-7-15)18-12-14-8-10-17-11-9-14/h3-7,13-14,16-18H,8-12H2,1-2H3
InChIKeyKQNPGQOVPZVOBO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.97
Rot. Bonds5

About 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine

2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79707906) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79707906
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCC(C)C(NCC1CCNCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-13(2)16(15-6-4-3-5-7-15)18-12-14-8-10-17-11-9-14/h3-7,13-14,16-18H,8-12H2,1-2H3
InChIKeyKQNPGQOVPZVOBO-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79708240
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79707906) is 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine is CC(C)C(NCC1CCNCC1)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is KQNPGQOVPZVOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)16(15-6-4-3-5-7-15)18-12-14-8-10-17-11-9-14/h3-7,13-14,16-18H,8-12H2,1-2H3.
What are the key properties of 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine?
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79707906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).