N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine

C16H26N2 — CID 58330527

IUPACN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
SMILESCCCN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-11-17-16(15-9-5-3-6-10-15)14-18-12-7-4-8-13-18/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyJGZOLBDIZMKJLR-INIZCTEOSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds6

About N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine (PubChem CID 58330527) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
PubChem CID58330527
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
SMILESCCCN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-11-17-16(15-9-5-3-6-10-15)14-18-12-7-4-8-13-18/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3/t16-/m0/s1
InChIKeyJGZOLBDIZMKJLR-INIZCTEOSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-[1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 63469310
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The IUPAC name of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine (CID 58330527) is N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine.
What is the SMILES notation for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The canonical SMILES for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine is CCCN[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The InChIKey is JGZOLBDIZMKJLR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-11-17-16(15-9-5-3-6-10-15)14-18-12-7-4-8-13-18/h3,5-6,9-10,16-17H,2,4,7-8,11-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine is sourced from PubChem (CID 58330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).