1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol

C19H27N5O — CID 70729000

IUPAC1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(c3ccc(Cn4ccnc4)cn3)CC2)CC1
InChIInChI=1S/C19H27N5O/c25-18-5-10-23(11-6-18)17-3-8-24(9-4-17)19-2-1-16(13-21-19)14-22-12-7-20-15-22/h1-2,7,12-13,15,17-18,25H,3-6,8-11,14H2
InChIKeyHNCLAPHTPRNPAA-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.75
Rot. Bonds4

About 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol

1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol (PubChem CID 70729000) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol
PubChem CID70729000
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol
SMILESOC1CCN(C2CCN(c3ccc(Cn4ccnc4)cn3)CC2)CC1
InChIInChI=1S/C19H27N5O/c25-18-5-10-23(11-6-18)17-3-8-24(9-4-17)19-2-1-16(13-21-19)14-22-12-7-20-15-22/h1-2,7,12-13,15,17-18,25H,3-6,8-11,14H2
InChIKeyHNCLAPHTPRNPAA-UHFFFAOYSA-N
XLogP1.75
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol (CID 70729000) is 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol is OC1CCN(C2CCN(c3ccc(Cn4ccnc4)cn3)CC2)CC1.
What is the InChIKey of 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol?
The InChIKey is HNCLAPHTPRNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-18-5-10-23(11-6-18)17-3-8-24(9-4-17)19-2-1-16(13-21-19)14-22-12-7-20-15-22/h1-2,7,12-13,15,17-18,25H,3-6,8-11,14H2.
What are the key properties of 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol?
1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol has a molecular weight of 341.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(imidazol-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70729000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).