N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine

C16H32N2O — CID 91585655

IUPACN-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine
SMILESCCNC1(COC2CN(CC)CCC2C)CCCC1
InChIInChI=1S/C16H32N2O/c1-4-17-16(9-6-7-10-16)13-19-15-12-18(5-2)11-8-14(15)3/h14-15,17H,4-13H2,1-3H3
InChIKeyUTRBKBCQPNWDMR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine

N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 91585655) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine
PubChem CID91585655
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine
SMILESCCNC1(COC2CN(CC)CCC2C)CCCC1
InChIInChI=1S/C16H32N2O/c1-4-17-16(9-6-7-10-16)13-19-15-12-18(5-2)11-8-14(15)3/h14-15,17H,4-13H2,1-3H3
InChIKeyUTRBKBCQPNWDMR-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine (CID 91585655) is N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine is CCNC1(COC2CN(CC)CCC2C)CCCC1.
What is the InChIKey of N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is UTRBKBCQPNWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-16(9-6-7-10-16)13-19-15-12-18(5-2)11-8-14(15)3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine?
N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(1-ethyl-4-methylpiperidin-3-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 91585655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).