(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine

C15H22N2 — CID 162344345

IUPAC(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
SMILESN[C@H](c1ccc(N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C15H22N2/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11,16H2/t15-/m0/s1
InChIKeyLTXYILJZTSEWLH-HNNXBMFYSA-N
MW230.35 g/mol
LogP3.09
Rot. Bonds3

About (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine

(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine (PubChem CID 162344345) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
PubChem CID162344345
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
SMILESN[C@H](c1ccc(N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C15H22N2/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11,16H2/t15-/m0/s1
InChIKeyLTXYILJZTSEWLH-HNNXBMFYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
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

(R)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344344
1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine
CID 154033603
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
cyclohexyl(phenyl)methanamine
CID 11064121

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine (CID 162344345) is (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine is N[C@H](c1ccc(N2CCCCC2)cc1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine?
The InChIKey is LTXYILJZTSEWLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11,16H2/t15-/m0/s1.
What are the key properties of (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine?
(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine has a molecular weight of 230.35 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 (S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 162344345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).