1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine

C16H27ClN2S — CID 64838073

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H27ClN2S/c1-11(2)7-13-8-18-15(12(3)4)10-19(13)9-14-5-6-16(17)20-14/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyPAVWDPSWDKCKEL-UHFFFAOYSA-N
MW314.93 g/mol
LogP4.25
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (PubChem CID 64838073) has the molecular formula C16H27ClN2S and a molecular weight of 314.93 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
PubChem CID64838073
Molecular FormulaC16H27ClN2S
Molecular Weight314.93 g/mol
Exact Mass314.16
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C(C)C)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H27ClN2S/c1-11(2)7-13-8-18-15(12(3)4)10-19(13)9-14-5-6-16(17)20-14/h5-6,11-13,15,18H,7-10H2,1-4H3
InChIKeyPAVWDPSWDKCKEL-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 114014084
1,2-dibenzyl-5-propan-2-ylpiperazine
CID 64838668
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848575

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine (CID 64838073) is 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is CC(C)CC1CNC(C(C)C)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is PAVWDPSWDKCKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2S/c1-11(2)7-13-8-18-15(12(3)4)10-19(13)9-14-5-6-16(17)20-14/h5-6,11-13,15,18H,7-10H2,1-4H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 314.93 g/mol, XLogP of 4.25, 5 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]-2-(2-methylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).