[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol

C19H38N2O — CID 176796914

IUPAC[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol
SMILESCC(C)CCN1CCN(C2CCC(C(C)C)CC2)[C@H](CO)C1
InChIInChI=1S/C19H38N2O/c1-15(2)9-10-20-11-12-21(19(13-20)14-22)18-7-5-17(6-8-18)16(3)4/h15-19,22H,5-14H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyFVZMYOIPWSHCBE-ACBHZAAOSA-N
MW310.53 g/mol
LogP3.23
Rot. Bonds6

About [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol

[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol (PubChem CID 176796914) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol
PubChem CID176796914
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol
SMILESCC(C)CCN1CCN(C2CCC(C(C)C)CC2)[C@H](CO)C1
InChIInChI=1S/C19H38N2O/c1-15(2)9-10-20-11-12-21(19(13-20)14-22)18-7-5-17(6-8-18)16(3)4/h15-19,22H,5-14H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyFVZMYOIPWSHCBE-ACBHZAAOSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol?
The IUPAC name of [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol (CID 176796914) is [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol is CC(C)CCN1CCN(C2CCC(C(C)C)CC2)[C@H](CO)C1.
What is the InChIKey of [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol?
The InChIKey is FVZMYOIPWSHCBE-ACBHZAAOSA-N. The full InChI is InChI=1S/C19H38N2O/c1-15(2)9-10-20-11-12-21(19(13-20)14-22)18-7-5-17(6-8-18)16(3)4/h15-19,22H,5-14H2,1-4H3/t17?,18?,19-/m0/s1.
What are the key properties of [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol?
[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol has a molecular weight of 310.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol is sourced from PubChem (CID 176796914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).