1-methyl-4-[(2R)-pentan-2-yl]piperazine

C10H22N2 — CID 97304611

IUPAC1-methyl-4-[(2R)-pentan-2-yl]piperazine
SMILESCCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C10H22N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyHPJYPDPTQDIPFP-SNVBAGLBSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds3

About 1-methyl-4-[(2R)-pentan-2-yl]piperazine

1-methyl-4-[(2R)-pentan-2-yl]piperazine (PubChem CID 97304611) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2R)-pentan-2-yl]piperazine
PubChem CID97304611
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-methyl-4-[(2R)-pentan-2-yl]piperazine
SMILESCCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C10H22N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyHPJYPDPTQDIPFP-SNVBAGLBSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
CID 107895642
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
4-pentan-2-ylthiomorpholine
CID 127402640
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129
1-(2-chloroethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887374
1-(2-bromoethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887476
9-methyl-2-pentan-2-yl-2,9-diazaspiro[5.5]undecane
CID 126759798
1-methyl-4-pentan-2-ylpiperazin-2-one
CID 130708490
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220
3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
CID 107895614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-pentan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[(2R)-pentan-2-yl]piperazine (CID 97304611) is 1-methyl-4-[(2R)-pentan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2R)-pentan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(2R)-pentan-2-yl]piperazine is CCC[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2R)-pentan-2-yl]piperazine?
The InChIKey is HPJYPDPTQDIPFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-10(2)12-8-6-11(3)7-9-12/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-pentan-2-yl]piperazine?
1-methyl-4-[(2R)-pentan-2-yl]piperazine has a molecular weight of 170.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-pentan-2-yl]piperazine is sourced from PubChem (CID 97304611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).