1-butan-2-yl-3-chloro-5-methylpiperidine

C10H20ClN — CID 130802847

IUPAC1-butan-2-yl-3-chloro-5-methylpiperidine
SMILESCCC(C)N1CC(C)CC(Cl)C1
InChIInChI=1S/C10H20ClN/c1-4-9(3)12-6-8(2)5-10(11)7-12/h8-10H,4-7H2,1-3H3
InChIKeyWCHHDWPZBOQDDR-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.73
Rot. Bonds2

About 1-butan-2-yl-3-chloro-5-methylpiperidine

1-butan-2-yl-3-chloro-5-methylpiperidine (PubChem CID 130802847) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 1-butan-2-yl-3-chloro-5-methylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-3-chloro-5-methylpiperidine
PubChem CID130802847
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name1-butan-2-yl-3-chloro-5-methylpiperidine
SMILESCCC(C)N1CC(C)CC(Cl)C1
InChIInChI=1S/C10H20ClN/c1-4-9(3)12-6-8(2)5-10(11)7-12/h8-10H,4-7H2,1-3H3
InChIKeyWCHHDWPZBOQDDR-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.73
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-butan-2-yl-3-chloropyrrolidine
CID 79445434
1-butan-2-yl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997264
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
CID 124669022
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
1-butan-2-yl-4-chloro-3-methylpiperidine
CID 114682282
5-methyl-1-(4-methylpentan-2-yl)piperidin-3-ol
CID 130857038
3-chloro-5-methyl-1-propylpiperidine
CID 131151056
N-[2-(3,5-dimethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62423227
(2R,6R)-4-butan-2-yl-2,6-difluoromorpholine
CID 170006232
(6S)-4-[(2S)-butan-2-yl]-6-methyl-1,4-thiazepane 1,1-dioxide
CID 124830139
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
CID 79687657

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-chloro-5-methylpiperidine?
The IUPAC name of 1-butan-2-yl-3-chloro-5-methylpiperidine (CID 130802847) is 1-butan-2-yl-3-chloro-5-methylpiperidine.
What is the SMILES notation for 1-butan-2-yl-3-chloro-5-methylpiperidine?
The canonical SMILES for 1-butan-2-yl-3-chloro-5-methylpiperidine is CCC(C)N1CC(C)CC(Cl)C1.
What is the InChIKey of 1-butan-2-yl-3-chloro-5-methylpiperidine?
The InChIKey is WCHHDWPZBOQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-4-9(3)12-6-8(2)5-10(11)7-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-chloro-5-methylpiperidine?
1-butan-2-yl-3-chloro-5-methylpiperidine has a molecular weight of 189.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-chloro-5-methylpiperidine is sourced from PubChem (CID 130802847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).