(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C21H31N5O — CID 99946557

IUPAC(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C21H31N5O/c1-25-12-9-22-21(25)19(27)17-7-10-26(11-8-17)15-16-13-23-20(24-14-16)18-5-3-2-4-6-18/h9,12-14,17-19,27H,2-8,10-11,15H2,1H3/t19-/m0/s1
InChIKeyDNRKJKSQOBCBJF-IBGZPJMESA-N
MW369.51 g/mol
LogP3.20
Rot. Bonds5

About (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 99946557) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID99946557
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1
InChIInChI=1S/C21H31N5O/c1-25-12-9-22-21(25)19(27)17-7-10-26(11-8-17)15-16-13-23-20(24-14-16)18-5-3-2-4-6-18/h9,12-14,17-19,27H,2-8,10-11,15H2,1H3/t19-/m0/s1
InChIKeyDNRKJKSQOBCBJF-IBGZPJMESA-N
XLogP3.20
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 99942839
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 28641905
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
(1-methylimidazol-2-yl)-[1-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 75390782
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 99946557) is (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1.
What is the InChIKey of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is DNRKJKSQOBCBJF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H31N5O/c1-25-12-9-22-21(25)19(27)17-7-10-26(11-8-17)15-16-13-23-20(24-14-16)18-5-3-2-4-6-18/h9,12-14,17-19,27H,2-8,10-11,15H2,1H3/t19-/m0/s1.
What are the key properties of (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 369.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 99946557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).