[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C16H28N4O — CID 91774145

IUPAC[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCn1cncc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C16H28N4O/c1-18-14-17-10-15(18)11-19-8-4-16(13-21,5-9-19)12-20-6-2-3-7-20/h10,14,21H,2-9,11-13H2,1H3
InChIKeyMUVBXFVQJBVPNQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.09
Rot. Bonds5

About [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91774145) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91774145
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCn1cncc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C16H28N4O/c1-18-14-17-10-15(18)11-19-8-4-16(13-21,5-9-19)12-20-6-2-3-7-20/h10,14,21H,2-9,11-13H2,1H3
InChIKeyMUVBXFVQJBVPNQ-UHFFFAOYSA-N
XLogP1.09
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
(3S*,4R*)-1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72855191
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
[1-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
CID 165400995
1-[(3-Methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 113339909
[1-({1-[(1-ethyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28732816
N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine
CID 59927709
Ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
CID 169201833
2-[4-[(8-Methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
CID 169201834
2-[4-[(8-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
CID 169202072
2-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 25804613

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91774145) is [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is Cn1cncc1CN1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is MUVBXFVQJBVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18-14-17-10-15(18)11-19-8-4-16(13-21,5-9-19)12-20-6-2-3-7-20/h10,14,21H,2-9,11-13H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylimidazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91774145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).