2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

C22H28N2O — CID 78097199

IUPAC2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3CC3NCC3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-2-4-18(5-3-1)16-25-20-8-6-19(7-9-20)21-14-22(21)24-15-17-10-12-23-13-11-17/h1-9,17,21-24H,10-16H2
InChIKeyCCTWTVLLUZOAEM-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.71
Rot. Bonds7

About 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (PubChem CID 78097199) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
PubChem CID78097199
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESc1ccc(COc2ccc(C3CC3NCC3CCNCC3)cc2)cc1
InChIInChI=1S/C22H28N2O/c1-2-4-18(5-3-1)16-25-20-8-6-19(7-9-20)21-14-22(21)24-15-17-10-12-23-13-11-17/h1-9,17,21-24H,10-16H2
InChIKeyCCTWTVLLUZOAEM-UHFFFAOYSA-N
XLogP3.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[2-(4-phenylmethoxyphenyl)cyclopropyl]azetidin-3-amine
CID 78097111
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
2-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetamide
CID 70907298
2-[[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-oxazol-5-amine
CID 56640131
trans-(1R,2S)-N-(1,3-oxazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895535
4-ethyl-N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]cyclohexan-1-amine
CID 158438247
2-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3-thiazol-5-amine
CID 66714821
N-(1,2,4-oxadiazol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 174895193
6-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,2,4-triazin-3-amine
CID 66716056
N-methyl-5-[[[2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 66714790
N-methyl-5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
CID 56640198

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (CID 78097199) is 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is c1ccc(COc2ccc(C3CC3NCC3CCNCC3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is CCTWTVLLUZOAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-4-18(5-3-1)16-25-20-8-6-19(7-9-20)21-14-22(21)24-15-17-10-12-23-13-11-17/h1-9,17,21-24H,10-16H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 336.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 78097199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).