(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine

C14H22N2 — CID 103694418

IUPAC(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-14(15)12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11,15H2,1H3/t14-/m1/s1
InChIKeyUOMIVOYKTBZOFU-CQSZACIVSA-N
MW218.34 g/mol
LogP3.09
Rot. Bonds3

About (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine

(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine (PubChem CID 103694418) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
PubChem CID103694418
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-14(15)12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11,15H2,1H3/t14-/m1/s1
InChIKeyUOMIVOYKTBZOFU-CQSZACIVSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 113242060
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
CID 167106796
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
CID 114066337
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine (CID 103694418) is (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine is CC[C@@H](N)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine?
The InChIKey is UOMIVOYKTBZOFU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-14(15)12-6-8-13(9-7-12)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11,15H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine?
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 103694418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).