trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

C15H22N2 — CID 66571530

IUPACtrans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1
InChIKeyMCZRLRYBKZHKLE-LSDHHAIUSA-N
MW230.35 g/mol
LogP2.13
Rot. Bonds4

About trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (PubChem CID 66571530) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
PubChem CID66571530
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nametrans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESc1ccc([C@@H]2C[C@H]2NCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1
InChIKeyMCZRLRYBKZHKLE-LSDHHAIUSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (CID 66571530) is trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is c1ccc([C@@H]2C[C@H]2NCC2CCNCC2)cc1.
What is the InChIKey of trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is MCZRLRYBKZHKLE-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 66571530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).