[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride

C12H18ClN3O2 — CID 175241184

IUPAC[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride
SMILESCc1cccc(C2(OC(N)=O)CCCNC2)n1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-9-4-2-5-10(15-9)12(17-11(13)16)6-3-7-14-8-12;/h2,4-5,14H,3,6-8H2,1H3,(H2,13,16);1H
InChIKeyBMSLOKXIOKGCOB-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.49
Rot. Bonds2

About [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride

[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride (PubChem CID 175241184) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride.

Molecular Properties

Compound Name[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride
PubChem CID175241184
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride
SMILESCc1cccc(C2(OC(N)=O)CCCNC2)n1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-9-4-2-5-10(15-9)12(17-11(13)16)6-3-7-14-8-12;/h2,4-5,14H,3,6-8H2,1H3,(H2,13,16);1H
InChIKeyBMSLOKXIOKGCOB-UHFFFAOYSA-N
XLogP1.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride?
The IUPAC name of [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride (CID 175241184) is [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride.
What is the SMILES notation for [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride?
The canonical SMILES for [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride is Cc1cccc(C2(OC(N)=O)CCCNC2)n1.Cl.
What is the InChIKey of [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride?
The InChIKey is BMSLOKXIOKGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-9-4-2-5-10(15-9)12(17-11(13)16)6-3-7-14-8-12;/h2,4-5,14H,3,6-8H2,1H3,(H2,13,16);1H.
What are the key properties of [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride?
[3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-2-pyridinyl)piperidin-3-yl] carbamate;hydrochloride is sourced from PubChem (CID 175241184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).