1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine

C19H38N2O — CID 175636197

IUPAC1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCC(C)OC1CCC(CC[C@@H](C)CN2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)22-19-9-7-18(8-10-19)6-5-17(3)15-21-13-11-20(4)12-14-21/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1
InChIKeyAKCRPWNUFNWZBJ-LMDPOFIKSA-N
MW310.53 g/mol
LogP3.63
Rot. Bonds7

About 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine

1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (PubChem CID 175636197) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
PubChem CID175636197
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCC(C)OC1CCC(CC[C@@H](C)CN2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)22-19-9-7-18(8-10-19)6-5-17(3)15-21-13-11-20(4)12-14-21/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1
InChIKeyAKCRPWNUFNWZBJ-LMDPOFIKSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The IUPAC name of 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (CID 175636197) is 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is CC(C)OC1CCC(CC[C@@H](C)CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The InChIKey is AKCRPWNUFNWZBJ-LMDPOFIKSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)22-19-9-7-18(8-10-19)6-5-17(3)15-21-13-11-20(4)12-14-21/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine has a molecular weight of 310.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is sourced from PubChem (CID 175636197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).