N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine

C16H26N2 — CID 62618709

IUPACN,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3
InChIKeyIVTAHMLBOZYLNH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds5

About N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine

N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 62618709) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
PubChem CID62618709
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3
InChIKeyIVTAHMLBOZYLNH-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

(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
methanidyl-[(1R,2S)-2-methyl-1-phenyl-3-piperidin-1-ylpropyl]azanium
CID 87107185
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
CID 87106535
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618035
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine (CID 62618709) is N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine is CNC(c1ccccc1)C(C)CN1CCCCC1.
What is the InChIKey of N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is IVTAHMLBOZYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(13-18-11-7-4-8-12-18)16(17-2)15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3.
What are the key properties of N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine?
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-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,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 62618709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).