(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol

C12H23N5O — CID 95338420

IUPAC(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCn1nnnc1CN1CCCC[C@@H]1[C@@H](C)O
InChIInChI=1S/C12H23N5O/c1-3-7-17-12(13-14-15-17)9-16-8-5-4-6-11(16)10(2)18/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeySRGCZQRKZZFNFI-GHMZBOCLSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds5

About (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol

(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 95338420) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
PubChem CID95338420
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
SMILESCCCn1nnnc1CN1CCCC[C@@H]1[C@@H](C)O
InChIInChI=1S/C12H23N5O/c1-3-7-17-12(13-14-15-17)9-16-8-5-4-6-11(16)10(2)18/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeySRGCZQRKZZFNFI-GHMZBOCLSA-N
XLogP0.82
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol (CID 95338420) is (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is CCCn1nnnc1CN1CCCC[C@@H]1[C@@H](C)O.
What is the InChIKey of (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is SRGCZQRKZZFNFI-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23N5O/c1-3-7-17-12(13-14-15-17)9-16-8-5-4-6-11(16)10(2)18/h10-11,18H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol?
(1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 95338420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).