[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone

C10H15ClN4O — CID 164663089

IUPAC[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(CCl)CC2)nn1
InChIInChI=1S/C10H15ClN4O/c1-14-7-9(12-13-14)10(16)15-4-2-8(6-11)3-5-15/h7-8H,2-6H2,1H3
InChIKeyNDLSGVDWEDNDRQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.91
Rot. Bonds2

About [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone

[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 164663089) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID164663089
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(CCl)CC2)nn1
InChIInChI=1S/C10H15ClN4O/c1-14-7-9(12-13-14)10(16)15-4-2-8(6-11)3-5-15/h7-8H,2-6H2,1H3
InChIKeyNDLSGVDWEDNDRQ-UHFFFAOYSA-N
XLogP0.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 134160986
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 164663089) is [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(CCl)CC2)nn1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is NDLSGVDWEDNDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-14-7-9(12-13-14)10(16)15-4-2-8(6-11)3-5-15/h7-8H,2-6H2,1H3.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 242.71 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 164663089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).