1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine

C13H25ClN2 — CID 174010390

IUPAC1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine
SMILESCC[C@@H](C)C(C)(/C=C(\C)Cl)N1CCNCC1
InChIInChI=1S/C13H25ClN2/c1-5-11(2)13(4,10-12(3)14)16-8-6-15-7-9-16/h10-11,15H,5-9H2,1-4H3/b12-10+/t11-,13?/m1/s1
InChIKeyUPZGMNDZSDCPDA-NRGRDJQDSA-N
MW244.81 g/mol
LogP2.84
Rot. Bonds4

About 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine

1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine (PubChem CID 174010390) has the molecular formula C13H25ClN2 and a molecular weight of 244.81 g/mol. Its IUPAC name is 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine.

Molecular Properties

Compound Name1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine
PubChem CID174010390
Molecular FormulaC13H25ClN2
Molecular Weight244.81 g/mol
Exact Mass244.17
IUPAC Name1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine
SMILESCC[C@@H](C)C(C)(/C=C(\C)Cl)N1CCNCC1
InChIInChI=1S/C13H25ClN2/c1-5-11(2)13(4,10-12(3)14)16-8-6-15-7-9-16/h10-11,15H,5-9H2,1-4H3/b12-10+/t11-,13?/m1/s1
InChIKeyUPZGMNDZSDCPDA-NRGRDJQDSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-piperazin-1-ylpentanenitrile
CID 60915963
N-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551253
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764
3-piperazin-1-ylpentan-2-one
CID 68969032
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548717
N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
CID 116914005
1-iodo-1-piperazin-1-ylethanol
CID 66895904
1-amino-1-piperazin-1-ylethanol
CID 57320675

Frequently Asked Questions

What is the IUPAC name of 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine?
The IUPAC name of 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine (CID 174010390) is 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine.
What is the SMILES notation for 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine?
The canonical SMILES for 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine is CC[C@@H](C)C(C)(/C=C(\C)Cl)N1CCNCC1.
What is the InChIKey of 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine?
The InChIKey is UPZGMNDZSDCPDA-NRGRDJQDSA-N. The full InChI is InChI=1S/C13H25ClN2/c1-5-11(2)13(4,10-12(3)14)16-8-6-15-7-9-16/h10-11,15H,5-9H2,1-4H3/b12-10+/t11-,13?/m1/s1.
What are the key properties of 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine?
1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine has a molecular weight of 244.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,5R)-2-chloro-4,5-dimethylhept-2-en-4-yl]piperazine is sourced from PubChem (CID 174010390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).