2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol

C16H30N6O — CID 124864640

IUPAC2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol
SMILESC[C@@H]1CN([C@@H](C)c2nnnn2C2CCCCC2)CCN1CCO
InChIInChI=1S/C16H30N6O/c1-13-12-21(9-8-20(13)10-11-23)14(2)16-17-18-19-22(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyZKSASEAYAOFYIA-KGLIPLIRSA-N
MW322.46 g/mol
LogP1.24
Rot. Bonds5

About 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol

2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol (PubChem CID 124864640) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol
PubChem CID124864640
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol
SMILESC[C@@H]1CN([C@@H](C)c2nnnn2C2CCCCC2)CCN1CCO
InChIInChI=1S/C16H30N6O/c1-13-12-21(9-8-20(13)10-11-23)14(2)16-17-18-19-22(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyZKSASEAYAOFYIA-KGLIPLIRSA-N
XLogP1.24
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol (CID 124864640) is 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol is C[C@@H]1CN([C@@H](C)c2nnnn2C2CCCCC2)CCN1CCO.
What is the InChIKey of 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol?
The InChIKey is ZKSASEAYAOFYIA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30N6O/c1-13-12-21(9-8-20(13)10-11-23)14(2)16-17-18-19-22(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol?
2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol has a molecular weight of 322.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 124864640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).