cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone

C18H26N2O — CID 43434758

IUPACcyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
SMILESCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C18H26N2O/c1-13-3-4-15(11-14(13)2)12-19-17-7-9-20(10-8-17)18(21)16-5-6-16/h3-4,11,16-17,19H,5-10,12H2,1-2H3
InChIKeyCYZQZYHGFADSBE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.79
Rot. Bonds4

About cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone (PubChem CID 43434758) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
PubChem CID43434758
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
SMILESCc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1C
InChIInChI=1S/C18H26N2O/c1-13-3-4-15(11-14(13)2)12-19-17-7-9-20(10-8-17)18(21)16-5-6-16/h3-4,11,16-17,19H,5-10,12H2,1-2H3
InChIKeyCYZQZYHGFADSBE-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 56827303
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
cyclopropyl-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]methanone
CID 56808723
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone (CID 43434758) is cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone is Cc1ccc(CNC2CCN(C(=O)C3CC3)CC2)cc1C.
What is the InChIKey of cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone?
The InChIKey is CYZQZYHGFADSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-3-4-15(11-14(13)2)12-19-17-7-9-20(10-8-17)18(21)16-5-6-16/h3-4,11,16-17,19H,5-10,12H2,1-2H3.
What are the key properties of cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).