2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol

C18H28N2O — CID 154859097

IUPAC2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)N1CCN(CC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,14-21)20-10-8-19(9-11-20)13-16-12-17(16)15-6-4-3-5-7-15/h3-7,16-17,21H,8-14H2,1-2H3
InChIKeyCQIJSRLLKRLHAE-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol

2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol (PubChem CID 154859097) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
PubChem CID154859097
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)N1CCN(CC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,14-21)20-10-8-19(9-11-20)13-16-12-17(16)15-6-4-3-5-7-15/h3-7,16-17,21H,8-14H2,1-2H3
InChIKeyCQIJSRLLKRLHAE-UHFFFAOYSA-N
XLogP2.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 29154047
1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10761040
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
3-[4-fluoro-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]phenol
CID 71257843
1,1-dimethyl-3-[4-phenyl-1-[[(1R,2S)-2-phenylcyclopropyl]methyl]piperidin-4-yl]urea
CID 67422842
1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
CID 90016806
N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
CID 70026533
2-methyl-2-(4-methyl-4-phenoxypiperidin-1-yl)propan-1-ol
CID 121418672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol (CID 154859097) is 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol is CC(C)(CO)N1CCN(CC2CC2c2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol?
The InChIKey is CQIJSRLLKRLHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,14-21)20-10-8-19(9-11-20)13-16-12-17(16)15-6-4-3-5-7-15/h3-7,16-17,21H,8-14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol?
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 154859097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).