N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine

C16H26N2 — CID 55094265

IUPACN-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
SMILESCNC(CCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14-8-11-18(12-9-14)13-10-16(17-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyUTUHQFAFHPTWFK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine

N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine (PubChem CID 55094265) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
PubChem CID55094265
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
SMILESCNC(CCN1CCC(C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14-8-11-18(12-9-14)13-10-16(17-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyUTUHQFAFHPTWFK-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine (CID 55094265) is N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine is CNC(CCN1CCC(C)CC1)c1ccccc1.
What is the InChIKey of N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
The InChIKey is UTUHQFAFHPTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-8-11-18(12-9-14)13-10-16(17-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine?
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 55094265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).