2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol

C22H28ClN3O — CID 74570100

IUPAC2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
SMILESCc1cccc(C2CNNC2C2CCCN(Cc3ccc(O)c(Cl)c3)C2)c1
InChIInChI=1S/C22H28ClN3O/c1-15-4-2-5-17(10-15)19-12-24-25-22(19)18-6-3-9-26(14-18)13-16-7-8-21(27)20(23)11-16/h2,4-5,7-8,10-11,18-19,22,24-25,27H,3,6,9,12-14H2,1H3
InChIKeyQGDIPKMRJXHADD-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol

2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol (PubChem CID 74570100) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
PubChem CID74570100
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
SMILESCc1cccc(C2CNNC2C2CCCN(Cc3ccc(O)c(Cl)c3)C2)c1
InChIInChI=1S/C22H28ClN3O/c1-15-4-2-5-17(10-15)19-12-24-25-22(19)18-6-3-9-26(14-18)13-16-7-8-21(27)20(23)11-16/h2,4-5,7-8,10-11,18-19,22,24-25,27H,3,6,9,12-14H2,1H3
InChIKeyQGDIPKMRJXHADD-UHFFFAOYSA-N
XLogP3.83
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591
2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 74498362
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-chloro-4-[[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methyl]phenol
CID 45215252
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 74787142
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
CID 75100275
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-chlorophenol
CID 82980644
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol (CID 74570100) is 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol is Cc1cccc(C2CNNC2C2CCCN(Cc3ccc(O)c(Cl)c3)C2)c1.
What is the InChIKey of 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is QGDIPKMRJXHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-15-4-2-5-17(10-15)19-12-24-25-22(19)18-6-3-9-26(14-18)13-16-7-8-21(27)20(23)11-16/h2,4-5,7-8,10-11,18-19,22,24-25,27H,3,6,9,12-14H2,1H3.
What are the key properties of 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol?
2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 385.94 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-[4-(3-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 74570100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).