1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

C14H21ClN2S — CID 64861491

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2S/c1-14(2)9-16-12(10-3-4-10)8-17(14)7-11-5-6-13(15)18-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyYMHPVPSSKQNXKZ-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.36
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (PubChem CID 64861491) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
PubChem CID64861491
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2S/c1-14(2)9-16-12(10-3-4-10)8-17(14)7-11-5-6-13(15)18-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3
InChIKeyYMHPVPSSKQNXKZ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862066
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
1-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 104812598
1-[(5-chlorothiophen-2-yl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870175

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine (CID 64861491) is 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is CC1(C)CNC(C2CC2)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
The InChIKey is YMHPVPSSKQNXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-14(2)9-16-12(10-3-4-10)8-17(14)7-11-5-6-13(15)18-11/h5-6,10,12,16H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine has a molecular weight of 284.86 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64861491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).