2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine

C12H17ClN2O — CID 97163574

IUPAC2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
SMILESClc1ccc(COC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C12H17ClN2O/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyUGWUXAHBKBEBOS-NSHDSACASA-N
MW240.73 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine

2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine (PubChem CID 97163574) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
PubChem CID97163574
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
SMILESClc1ccc(COC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C12H17ClN2O/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyUGWUXAHBKBEBOS-NSHDSACASA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
2-chloro-5-(piperidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
CID 71639974
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
CID 97163927
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
2-chloro-5-(pyrrolidin-2-ylmethylsulfanylmethyl)pyridine;hydrochloride
CID 71639976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine?
The IUPAC name of 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine (CID 97163574) is 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine is Clc1ccc(COC[C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine?
The InChIKey is UGWUXAHBKBEBOS-NSHDSACASA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-12-5-4-10(7-15-12)8-16-9-11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,8-9H2/t11-/m0/s1.
What are the key properties of 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine?
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine is sourced from PubChem (CID 97163574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).