[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate

C17H27N3O2 — CID 154758472

IUPAC[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
SMILESCc1ncccc1CN1CCCCC1COC(=O)NC(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)19-17(21)22-12-16-8-4-5-10-20(16)11-15-7-6-9-18-14(15)3/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyCAIJSAKZBAWSOQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds5

About [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate

[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate (PubChem CID 154758472) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
PubChem CID154758472
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
SMILESCc1ncccc1CN1CCCCC1COC(=O)NC(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)19-17(21)22-12-16-8-4-5-10-20(16)11-15-7-6-9-18-14(15)3/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3,(H,19,21)
InChIKeyCAIJSAKZBAWSOQ-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate (CID 154758472) is [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate is Cc1ncccc1CN1CCCCC1COC(=O)NC(C)C.
What is the InChIKey of [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is CAIJSAKZBAWSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)19-17(21)22-12-16-8-4-5-10-20(16)11-15-7-6-9-18-14(15)3/h6-7,9,13,16H,4-5,8,10-12H2,1-3H3,(H,19,21).
What are the key properties of [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate?
[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 154758472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).