[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C18H26N4O — CID 171909909

IUPAC[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1
InChIInChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3
InChIKeyBMTGUOHTQGTHAS-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds4

About [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 171909909) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID171909909
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1
InChIInChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3
InChIKeyBMTGUOHTQGTHAS-UHFFFAOYSA-N
XLogP2.38
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(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
4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 136883234

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 171909909) is [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cc1cnc(CN2CCC(C(O)c3nccn3C)CC2)c(C)c1.
What is the InChIKey of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is BMTGUOHTQGTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-10-14(2)16(20-11-13)12-22-7-4-15(5-8-22)17(23)18-19-6-9-21(18)3/h6,9-11,15,17,23H,4-5,7-8,12H2,1-3H3.
What are the key properties of [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 314.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 171909909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).