1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine

C15H26ClN — CID 106838166

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
SMILESCC(Cl)C1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26ClN/c1-11(16)13-4-6-17(7-5-13)10-15-9-12-2-3-14(15)8-12/h11-15H,2-10H2,1H3
InChIKeySSJUGHRYUZOCAQ-UHFFFAOYSA-N
MW255.83 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine (PubChem CID 106838166) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
PubChem CID106838166
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
SMILESCC(Cl)C1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H26ClN/c1-11(16)13-4-6-17(7-5-13)10-15-9-12-2-3-14(15)8-12/h11-15H,2-10H2,1H3
InChIKeySSJUGHRYUZOCAQ-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 53.76
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-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]butanenitrile
CID 79551779
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine (CID 106838166) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine is CC(Cl)C1CCN(CC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine?
The InChIKey is SSJUGHRYUZOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN/c1-11(16)13-4-6-17(7-5-13)10-15-9-12-2-3-14(15)8-12/h11-15H,2-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine has a molecular weight of 255.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine is sourced from PubChem (CID 106838166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).