(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol

C19H26ClN3O — CID 111111110

IUPAC(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol
SMILESCC(C)n1ccnc1CN1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O/c1-14(2)23-12-9-21-18(23)13-22-10-7-16(8-11-22)19(24)15-3-5-17(20)6-4-15/h3-6,9,12,14,16,19,24H,7-8,10-11,13H2,1-2H3
InChIKeyBMSNMWSZTLPCNN-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.06
Rot. Bonds5

About (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol

(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 111111110) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID111111110
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol
SMILESCC(C)n1ccnc1CN1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O/c1-14(2)23-12-9-21-18(23)13-22-10-7-16(8-11-22)19(24)15-3-5-17(20)6-4-15/h3-6,9,12,14,16,19,24H,7-8,10-11,13H2,1-2H3
InChIKeyBMSNMWSZTLPCNN-UHFFFAOYSA-N
XLogP4.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189
4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzaldehyde
CID 134101088
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
2-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550477
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 56881830
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
(1-methylimidazol-2-yl)-[1-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 75390782

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol (CID 111111110) is (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol is CC(C)n1ccnc1CN1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is BMSNMWSZTLPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-14(2)23-12-9-21-18(23)13-22-10-7-16(8-11-22)19(24)15-3-5-17(20)6-4-15/h3-6,9,12,14,16,19,24H,7-8,10-11,13H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol?
(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 347.89 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111111110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).