(3S)-3-(chloromethyl)-1-methylpiperidine

C7H14ClN — CID 1268113

IUPAC(3S)-3-(chloromethyl)-1-methylpiperidine
SMILESCN1CCC[C@H](CCl)C1
InChIInChI=1S/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFFOIFAAVWJZLFE-SSDOTTSWSA-N
MW147.65 g/mol
LogP1.57
Rot. Bonds1

About (3S)-3-(chloromethyl)-1-methylpiperidine

(3S)-3-(chloromethyl)-1-methylpiperidine (PubChem CID 1268113) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (3S)-3-(chloromethyl)-1-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-(chloromethyl)-1-methylpiperidine
PubChem CID1268113
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(3S)-3-(chloromethyl)-1-methylpiperidine
SMILESCN1CCC[C@H](CCl)C1
InChIInChI=1S/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyFFOIFAAVWJZLFE-SSDOTTSWSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.57
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

ethane;3-ethyl-1-methylpiperidine
CID 142833851
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
1-methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
3-(chloromethyl)-1-(3-pyrrolidin-1-ylpropyl)piperidine
CID 63386793
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
N,N-dimethyl-1-(1-methylpiperidin-3-yl)methanamine;propane
CID 142888421
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 63666439
3-(1-methylpiperidin-3-yl)propanal
CID 83905184

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(chloromethyl)-1-methylpiperidine?
The IUPAC name of (3S)-3-(chloromethyl)-1-methylpiperidine (CID 1268113) is (3S)-3-(chloromethyl)-1-methylpiperidine.
What is the SMILES notation for (3S)-3-(chloromethyl)-1-methylpiperidine?
The canonical SMILES for (3S)-3-(chloromethyl)-1-methylpiperidine is CN1CCC[C@H](CCl)C1.
What is the InChIKey of (3S)-3-(chloromethyl)-1-methylpiperidine?
The InChIKey is FFOIFAAVWJZLFE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-(chloromethyl)-1-methylpiperidine?
(3S)-3-(chloromethyl)-1-methylpiperidine has a molecular weight of 147.65 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(chloromethyl)-1-methylpiperidine is sourced from PubChem (CID 1268113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).