N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine

C18H38N2O — CID 130469997

IUPACN-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine
SMILESCCCCN(CCOC)CC(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H38N2O/c1-5-6-10-19(13-14-21-4)16-18(15-17(2)3)20-11-8-7-9-12-20/h17-18H,5-16H2,1-4H3
InChIKeyMSKMRZPKYZKIQD-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.64
Rot. Bonds11

About N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine

N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine (PubChem CID 130469997) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine
PubChem CID130469997
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC NameN-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine
SMILESCCCCN(CCOC)CC(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H38N2O/c1-5-6-10-19(13-14-21-4)16-18(15-17(2)3)20-11-8-7-9-12-20/h17-18H,5-16H2,1-4H3
InChIKeyMSKMRZPKYZKIQD-UHFFFAOYSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine?
The IUPAC name of N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine (CID 130469997) is N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine.
What is the SMILES notation for N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine?
The canonical SMILES for N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine is CCCCN(CCOC)CC(CC(C)C)N1CCCCC1.
What is the InChIKey of N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine?
The InChIKey is MSKMRZPKYZKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-6-10-19(13-14-21-4)16-18(15-17(2)3)20-11-8-7-9-12-20/h17-18H,5-16H2,1-4H3.
What are the key properties of N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine?
N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine has a molecular weight of 298.52 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine is sourced from PubChem (CID 130469997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).