[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine

C15H22N2 — CID 122440726

IUPAC[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine
SMILESNCC1CCNC([C@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-10-11-6-7-17-15(8-11)14-9-13(14)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10,16H2/t11?,13-,14-,15?/m0/s1
InChIKeyHCSCFSFBHXJAMT-IFFKYPLHSA-N
MW230.35 g/mol
LogP2.12
Rot. Bonds3

About [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine

[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine (PubChem CID 122440726) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine
PubChem CID122440726
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine
SMILESNCC1CCNC([C@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C15H22N2/c16-10-11-6-7-17-15(8-11)14-9-13(14)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10,16H2/t11?,13-,14-,15?/m0/s1
InChIKeyHCSCFSFBHXJAMT-IFFKYPLHSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
3-[4-(aminomethyl)piperidin-2-yl]piperidin-4-amine
CID 134482311
[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
CID 66811554
6-(2-phenylcyclopropyl)piperidine-3-sulfonamide
CID 106781587
[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
CID 57365027
2-(2-phenylcyclopropyl)-4-propylcyclohexan-1-amine
CID 116518607
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
2-ethyl-3-phenylpyrrolidine
CID 62354556
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389

Frequently Asked Questions

What is the IUPAC name of [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine?
The IUPAC name of [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine (CID 122440726) is [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine?
The canonical SMILES for [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine is NCC1CCNC([C@H]2C[C@H]2c2ccccc2)C1.
What is the InChIKey of [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine?
The InChIKey is HCSCFSFBHXJAMT-IFFKYPLHSA-N. The full InChI is InChI=1S/C15H22N2/c16-10-11-6-7-17-15(8-11)14-9-13(14)12-4-2-1-3-5-12/h1-5,11,13-15,17H,6-10,16H2/t11?,13-,14-,15?/m0/s1.
What are the key properties of [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine?
[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 122440726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).