[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

C14H24N4O — CID 56908326

IUPAC[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C14H24N4O/c19-11-12-2-6-17(7-3-12)10-13-8-14-9-15-4-1-5-18(14)16-13/h8,12,15,19H,1-7,9-11H2
InChIKeyQIKMDCRQBLRWNR-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.58
Rot. Bonds3

About [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56908326) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56908326
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C14H24N4O/c19-11-12-2-6-17(7-3-12)10-13-8-14-9-15-4-1-5-18(14)16-13/h8,12,15,19H,1-7,9-11H2
InChIKeyQIKMDCRQBLRWNR-UHFFFAOYSA-N
XLogP0.58
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (CID 56908326) is [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is OCC1CCN(Cc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is QIKMDCRQBLRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c19-11-12-2-6-17(7-3-12)10-13-8-14-9-15-4-1-5-18(14)16-13/h8,12,15,19H,1-7,9-11H2.
What are the key properties of [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56908326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).