[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

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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).