1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine

C12H24N2 — CID 742968

IUPAC1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
SMILESCCN1CCN([C@@H]2CC[C@H](C)C2)CC1
InChIInChI=1S/C12H24N2/c1-3-13-6-8-14(9-7-13)12-5-4-11(2)10-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyMOUMRBAJRLGWTH-NWDGAFQWSA-N
MW196.34 g/mol
LogP1.81
Rot. Bonds2

About 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine

1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine (PubChem CID 742968) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
PubChem CID742968
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine
SMILESCCN1CCN([C@@H]2CC[C@H](C)C2)CC1
InChIInChI=1S/C12H24N2/c1-3-13-6-8-14(9-7-13)12-5-4-11(2)10-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyMOUMRBAJRLGWTH-NWDGAFQWSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
2-[4-[(1R,3R)-3-methylcyclopentyl]piperazin-1-yl]ethanol
CID 30327158
3-(4-ethylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642695
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
4-(4-ethylpiperazin-1-yl)cyclohexan-1-amine;molecular hydrogen;propane
CID 171641351
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine?
The IUPAC name of 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine (CID 742968) is 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine is CCN1CCN([C@@H]2CC[C@H](C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine?
The InChIKey is MOUMRBAJRLGWTH-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-13-6-8-14(9-7-13)12-5-4-11(2)10-12/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine?
1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine has a molecular weight of 196.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1R,3S)-3-methylcyclopentyl]piperazine is sourced from PubChem (CID 742968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).