4-chloro-1-(2-methylpropyl)piperidine

C9H18ClN — CID 63389166

IUPAC4-chloro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(Cl)CC1
InChIInChI=1S/C9H18ClN/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyBKCPXHDVLURQRT-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.35
Rot. Bonds2

About 4-chloro-1-(2-methylpropyl)piperidine

4-chloro-1-(2-methylpropyl)piperidine (PubChem CID 63389166) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 4-chloro-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-chloro-1-(2-methylpropyl)piperidine
PubChem CID63389166
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name4-chloro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(Cl)CC1
InChIInChI=1S/C9H18ClN/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyBKCPXHDVLURQRT-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.35
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

3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
3-[1-(2-methylpropyl)piperidin-4-yl]-3-oxopropanenitrile
CID 174621646
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-chloro-1-(2-methylpropyl)piperidine (CID 63389166) is 4-chloro-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-chloro-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-chloro-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(2-methylpropyl)piperidine?
The InChIKey is BKCPXHDVLURQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-1-(2-methylpropyl)piperidine?
4-chloro-1-(2-methylpropyl)piperidine has a molecular weight of 175.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 63389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).