trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

C22H28N2 — CID 66571532

IUPACtrans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-3-7-19(8-4-1)17-24-13-11-18(12-14-24)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-10,18,21-23H,11-17H2/t21-,22+/m0/s1
InChIKeyUWKWONWZZNIVDX-FCHUYYIVSA-N
MW320.48 g/mol
LogP4.04
Rot. Bonds6

About trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 66571532) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID66571532
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Nametrans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESc1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-3-7-19(8-4-1)17-24-13-11-18(12-14-24)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-10,18,21-23H,11-17H2/t21-,22+/m0/s1
InChIKeyUWKWONWZZNIVDX-FCHUYYIVSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phencyclidine
CID 6468
Cinnarizine
CID 1547484
Cyclizine
CID 6726
Fendiline
CID 3336
Phencyclidine Hydrochloride
CID 9795678
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Prenylamine
CID 9801
N-Benzylphenethylamine
CID 65055
Fendiline Hydrochloride
CID 5702162
Cyclizine Hydrochloride
CID 6420019
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine (CID 66571532) is trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine is c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is UWKWONWZZNIVDX-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-7-19(8-4-1)17-24-13-11-18(12-14-24)16-23-22-15-21(22)20-9-5-2-6-10-20/h1-10,18,21-23H,11-17H2/t21-,22+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 66571532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).