1,4-bis(2,2,2-trichloroethyl)piperidine

C9H13Cl6N — CID 174386912

IUPAC1,4-bis(2,2,2-trichloroethyl)piperidine
SMILESClC(Cl)(Cl)CC1CCN(CC(Cl)(Cl)Cl)CC1
InChIInChI=1S/C9H13Cl6N/c10-8(11,12)5-7-1-3-16(4-2-7)6-9(13,14)15/h7H,1-6H2
InChIKeyXHTFUMLNXCQWLD-UHFFFAOYSA-N
MW347.93 g/mol
LogP4.83
Rot. Bonds2

About 1,4-bis(2,2,2-trichloroethyl)piperidine

1,4-bis(2,2,2-trichloroethyl)piperidine (PubChem CID 174386912) has the molecular formula C9H13Cl6N and a molecular weight of 347.93 g/mol. Its IUPAC name is 1,4-bis(2,2,2-trichloroethyl)piperidine.

Molecular Properties

Compound Name1,4-bis(2,2,2-trichloroethyl)piperidine
PubChem CID174386912
Molecular FormulaC9H13Cl6N
Molecular Weight347.93 g/mol
Exact Mass344.92
IUPAC Name1,4-bis(2,2,2-trichloroethyl)piperidine
SMILESClC(Cl)(Cl)CC1CCN(CC(Cl)(Cl)Cl)CC1
InChIInChI=1S/C9H13Cl6N/c10-8(11,12)5-7-1-3-16(4-2-7)6-9(13,14)15/h7H,1-6H2
InChIKeyXHTFUMLNXCQWLD-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
CID 158145393
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
3-[4-(aminomethyl)piperidin-1-yl]-2,2-dimethylpropanenitrile
CID 164647316
1-(2,2-difluorobutyl)-4-ethylpiperidine
CID 123670670
[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 22236505
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2,2-trichloroethyl)piperidine?
The IUPAC name of 1,4-bis(2,2,2-trichloroethyl)piperidine (CID 174386912) is 1,4-bis(2,2,2-trichloroethyl)piperidine.
What is the SMILES notation for 1,4-bis(2,2,2-trichloroethyl)piperidine?
The canonical SMILES for 1,4-bis(2,2,2-trichloroethyl)piperidine is ClC(Cl)(Cl)CC1CCN(CC(Cl)(Cl)Cl)CC1.
What is the InChIKey of 1,4-bis(2,2,2-trichloroethyl)piperidine?
The InChIKey is XHTFUMLNXCQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl6N/c10-8(11,12)5-7-1-3-16(4-2-7)6-9(13,14)15/h7H,1-6H2.
What are the key properties of 1,4-bis(2,2,2-trichloroethyl)piperidine?
1,4-bis(2,2,2-trichloroethyl)piperidine has a molecular weight of 347.93 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2,2-trichloroethyl)piperidine is sourced from PubChem (CID 174386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).