4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol

C16H20BrN3O — CID 23935984

IUPAC4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCn1ccnc1CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrN3O/c1-19-11-8-18-15(19)12-20-9-6-16(21,7-10-20)13-2-4-14(17)5-3-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3
InChIKeyKNKSVWNJOZSDBM-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.67
Rot. Bonds3

About 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol

4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 23935984) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID23935984
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCn1ccnc1CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H20BrN3O/c1-19-11-8-18-15(19)12-20-9-6-16(21,7-10-20)13-2-4-14(17)5-3-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3
InChIKeyKNKSVWNJOZSDBM-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
1-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984536
(3S)-3-(2-methoxyethyl)-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97394779
2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-N-methylacetamide
CID 91178141
2-[2-(dimethylamino)ethyl]-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97362471
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56905869
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol (CID 23935984) is 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol is Cn1ccnc1CN1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is KNKSVWNJOZSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-19-11-8-18-15(19)12-20-9-6-16(21,7-10-20)13-2-4-14(17)5-3-13/h2-5,8,11,21H,6-7,9-10,12H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 350.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 23935984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).