1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol

C16H29N5O — CID 3193522

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C16H29N5O/c1-12(2)15(20-10-8-14(22)9-11-20)16-17-18-19-21(16)13-6-4-3-5-7-13/h12-15,22H,3-11H2,1-2H3
InChIKeyWSZSAEZVXZQYHH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol

1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol (PubChem CID 3193522) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol
PubChem CID3193522
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C16H29N5O/c1-12(2)15(20-10-8-14(22)9-11-20)16-17-18-19-21(16)13-6-4-3-5-7-13/h12-15,22H,3-11H2,1-2H3
InChIKeyWSZSAEZVXZQYHH-UHFFFAOYSA-N
XLogP2.33
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol (CID 3193522) is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol is CC(C)C(c1nnnn1C1CCCCC1)N1CCC(O)CC1.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol?
The InChIKey is WSZSAEZVXZQYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12(2)15(20-10-8-14(22)9-11-20)16-17-18-19-21(16)13-6-4-3-5-7-13/h12-15,22H,3-11H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol?
1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol has a molecular weight of 307.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-4-ol is sourced from PubChem (CID 3193522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).