[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine

C12H18ClN3 — CID 115043434

IUPAC[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
SMILESCN1CCCCC1c1cnc(Cl)c(CN)c1
InChIInChI=1S/C12H18ClN3/c1-16-5-3-2-4-11(16)10-6-9(7-14)12(13)15-8-10/h6,8,11H,2-5,7,14H2,1H3
InChIKeyBVFGWBFNTKVXPX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.35
Rot. Bonds2

About [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine

[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine (PubChem CID 115043434) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
PubChem CID115043434
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine
SMILESCN1CCCCC1c1cnc(Cl)c(CN)c1
InChIInChI=1S/C12H18ClN3/c1-16-5-3-2-4-11(16)10-6-9(7-14)12(13)15-8-10/h6,8,11H,2-5,7,14H2,1H3
InChIKeyBVFGWBFNTKVXPX-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.35
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

3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;iodomethane;methane
CID 158698333
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
(2R)-2-(6-chloro-5-methoxy-3-pyridinyl)piperidin-1-amine
CID 141031286
[2-chloro-5-(thiolan-3-yl)-3-pyridinyl]methanamine
CID 115036950
(2R)-2-(5-bromo-6-chloro-3-pyridinyl)piperidin-1-amine
CID 141031211
2-[5-[(2R)-1-methylazepan-2-yl]-2-pyridinyl]ethanethial
CID 22092623
[3-(1-methylpiperidin-2-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145740
2-chloro-3-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542433
2-methoxy-3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 102542386
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
CID 115018745
2,3-dichloro-4-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 59522801
5-[(2S)-1-methylpyrrolidin-2-yl]-2-[5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridin-2-yl]furo[2,3-b]pyridine
CID 45141024

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine (CID 115043434) is [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine is CN1CCCCC1c1cnc(Cl)c(CN)c1.
What is the InChIKey of [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine?
The InChIKey is BVFGWBFNTKVXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16-5-3-2-4-11(16)10-6-9(7-14)12(13)15-8-10/h6,8,11H,2-5,7,14H2,1H3.
What are the key properties of [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine?
[2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine has a molecular weight of 239.75 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(1-methylpiperidin-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115043434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).