1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

C18H25N3O2 — CID 111858515

IUPAC1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-18(14-23-13-16-4-2-1-3-5-16)12-20-9-6-17(7-10-20)21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2
InChIKeyKQAVXDSKIOGKLN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.10
Rot. Bonds7

About 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 111858515) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID111858515
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H25N3O2/c22-18(14-23-13-16-4-2-1-3-5-16)12-20-9-6-17(7-10-20)21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2
InChIKeyKQAVXDSKIOGKLN-UHFFFAOYSA-N
XLogP2.10
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (CID 111858515) is 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN1CCC(n2ccnc2)CC1.
What is the InChIKey of 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is KQAVXDSKIOGKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(14-23-13-16-4-2-1-3-5-16)12-20-9-6-17(7-10-20)21-11-8-19-15-21/h1-5,8,11,15,17-18,22H,6-7,9-10,12-14H2.
What are the key properties of 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 111858515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).