2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine

C18H30N2 — CID 106625318

IUPAC2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CC1CCCNC1)CC(C)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-17-8-7-11-19-13-17)14-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,3,7-8,11-15H2,1-2H3
InChIKeyQNNRMZMPLIYQTH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.50
Rot. Bonds7

About 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine

2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine (PubChem CID 106625318) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
PubChem CID106625318
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CC1CCCNC1)CC(C)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-17-8-7-11-19-13-17)14-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,3,7-8,11-15H2,1-2H3
InChIKeyQNNRMZMPLIYQTH-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640830
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine?
The IUPAC name of 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine (CID 106625318) is 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine is CCCN(CC1CCCNC1)CC(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine?
The InChIKey is QNNRMZMPLIYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-12-20(15-17-8-7-11-19-13-17)14-16(2)18-9-5-4-6-10-18/h4-6,9-10,16-17,19H,3,7-8,11-15H2,1-2H3.
What are the key properties of 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine?
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106625318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).