1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

C22H27N — CID 173472767

IUPAC1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESc1ccc(CN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N/c1-3-7-19(8-4-1)17-23-13-11-18(12-14-23)15-21-16-22(21)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m1/s1
InChIKeyNJONHEJRACJEDS-YADHBBJMSA-N
MW305.46 g/mol
LogP5.09
Rot. Bonds5

About 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (PubChem CID 173472767) has the molecular formula C22H27N and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
PubChem CID173472767
Molecular FormulaC22H27N
Molecular Weight305.46 g/mol
Exact Mass305.21
IUPAC Name1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESc1ccc(CN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N/c1-3-7-19(8-4-1)17-23-13-11-18(12-14-23)15-21-16-22(21)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m1/s1
InChIKeyNJONHEJRACJEDS-YADHBBJMSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-methoxy-3-[4-[[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 161083592
(E)-N-benzylsulfonyl-3-[4-[[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 148741721
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 29154047
4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
CID 159855488
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558383
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-[1-[4-[(2-phenylcyclopropyl)methyl]piperidin-1-yl]cyclobutyl]acetonitrile
CID 157415161

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The IUPAC name of 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (CID 173472767) is 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The canonical SMILES for 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is c1ccc(CN2CCC(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The InChIKey is NJONHEJRACJEDS-YADHBBJMSA-N. The full InChI is InChI=1S/C22H27N/c1-3-7-19(8-4-1)17-23-13-11-18(12-14-23)15-21-16-22(21)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22+/m1/s1.
What are the key properties of 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine has a molecular weight of 305.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is sourced from PubChem (CID 173472767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).