1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine

C18H30N2O — CID 139379312

IUPAC1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
SMILESCCC[C@H](C)OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-7-17(2)21-15-14-19-10-12-20(13-11-19)16-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3/t17-/m0/s1
InChIKeyJWLQSLJZONMZQJ-KRWDZBQOSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds8

About 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine

1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine (PubChem CID 139379312) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
PubChem CID139379312
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
SMILESCCC[C@H](C)OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-7-17(2)21-15-14-19-10-12-20(13-11-19)16-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3/t17-/m0/s1
InChIKeyJWLQSLJZONMZQJ-KRWDZBQOSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-benzyl-4-heptylpiperazine
CID 22088087
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 90105371
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine (CID 139379312) is 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine is CCC[C@H](C)OCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine?
The InChIKey is JWLQSLJZONMZQJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-7-17(2)21-15-14-19-10-12-20(13-11-19)16-18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine?
1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine is sourced from PubChem (CID 139379312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).