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

C18H30N2 — CID 106625214

IUPAC1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCNC1)C(C)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-18-10-7-11-19-14-18)16(2)13-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyODTWJILLYUUAED-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds7

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

1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine (PubChem CID 106625214) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
PubChem CID106625214
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCNC1)C(C)Cc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-12-20(15-18-10-7-11-19-14-18)16(2)13-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3
InChIKeyODTWJILLYUUAED-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine (CID 106625214) is 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine is CCCN(CC1CCCNC1)C(C)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The InChIKey is ODTWJILLYUUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-12-20(15-18-10-7-11-19-14-18)16(2)13-17-8-5-4-6-9-17/h4-6,8-9,16,18-19H,3,7,10-15H2,1-2H3.
What are the key properties of 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine is sourced from PubChem (CID 106625214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).