N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine

C16H27N3O — CID 75382990

IUPACN-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)COCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)13-20-12-9-17-15-6-10-19(11-7-15)16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3
InChIKeyCMHWJLPAQRNNRM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine

N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 75382990) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID75382990
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(C)COCCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H27N3O/c1-14(2)13-20-12-9-17-15-6-10-19(11-7-15)16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3
InChIKeyCMHWJLPAQRNNRM-UHFFFAOYSA-N
XLogP2.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine (CID 75382990) is N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine is CC(C)COCCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is CMHWJLPAQRNNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)13-20-12-9-17-15-6-10-19(11-7-15)16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 75382990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).