2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane

C14H23ClN2 — CID 145106063

IUPAC2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
SMILESCC.CC1CCCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2.C2H6/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13;1-2/h2,5-6,10H,3-4,7-9H2,1H3;1-2H3
InChIKeySXHKJGUOVNSHKI-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane

2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane (PubChem CID 145106063) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane.

Molecular Properties

Compound Name2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
PubChem CID145106063
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
SMILESCC.CC1CCCN(Cc2cccnc2Cl)C1
InChIInChI=1S/C12H17ClN2.C2H6/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13;1-2/h2,5-6,10H,3-4,7-9H2,1H3;1-2H3
InChIKeySXHKJGUOVNSHKI-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
2-[(2-chloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 62470912
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 106668639
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane?
The IUPAC name of 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane (CID 145106063) is 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane.
What is the SMILES notation for 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane?
The canonical SMILES for 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane is CC.CC1CCCN(Cc2cccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane?
The InChIKey is SXHKJGUOVNSHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C2H6/c1-10-4-3-7-15(8-10)9-11-5-2-6-14-12(11)13;1-2/h2,5-6,10H,3-4,7-9H2,1H3;1-2H3.
What are the key properties of 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane?
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane has a molecular weight of 254.80 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane is sourced from PubChem (CID 145106063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).