[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C17H30N4O — CID 91791648

IUPAC[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCCn1ccnc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C17H30N4O/c1-2-21-12-7-18-16(21)13-19-10-5-17(15-22,6-11-19)14-20-8-3-4-9-20/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeyNONNAYACRRIKJI-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.57
Rot. Bonds6

About [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91791648) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91791648
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCCn1ccnc1CN1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C17H30N4O/c1-2-21-12-7-18-16(21)13-19-10-5-17(15-22,6-11-19)14-20-8-3-4-9-20/h7,12,22H,2-6,8-11,13-15H2,1H3
InChIKeyNONNAYACRRIKJI-UHFFFAOYSA-N
XLogP1.57
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16189123
2-{4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16187268
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
[(3R*,4R*)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70710048
1-[(1-Propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70725281
{(3R*,4R*)-4-(azepan-1-ylmethyl)-1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70738584
{(3R*,4R*)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70742935
[(3R*,4R*)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70747890
[(3R*,4R*)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70755500
3-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-ol
CID 70776255
{(3R*,4R*)-4-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70781451
[1-({(3R*,4R*)-4-(hydroxymethyl)-1-[(1-methyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)piperidin-4-yl]methanol
CID 72861188

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91791648) is [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is CCn1ccnc1CN1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is NONNAYACRRIKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-2-21-12-7-18-16(21)13-19-10-5-17(15-22,6-11-19)14-20-8-3-4-9-20/h7,12,22H,2-6,8-11,13-15H2,1H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 306.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91791648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).