(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine

C17H34N2 — CID 176797151

IUPAC(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1
InChIKeyQLYWTLABDPAYLM-GTPINHCMSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds3

About (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine

(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 176797151) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID176797151
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1
InChIKeyQLYWTLABDPAYLM-GTPINHCMSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine (CID 176797151) is (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)C[C@@H]2C)CC1.
What is the InChIKey of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is QLYWTLABDPAYLM-GTPINHCMSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)16-6-8-17(9-7-16)19-11-10-18(14(3)4)12-15(19)5/h13-17H,6-12H2,1-5H3/t15-,16?,17?/m0/s1.
What are the key properties of (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine?
(2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 176797151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).