N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine

C15H28N2O2 — CID 79716616

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(CC1CCNCC1)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H28N2O2/c1-17(10-13-4-8-16-9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3
InChIKeyKFUDTGMMSAOWNY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.60
Rot. Bonds4

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 79716616) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID79716616
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(CC1CCNCC1)CC1COC2(CCCC2)O1
InChIInChI=1S/C15H28N2O2/c1-17(10-13-4-8-16-9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3
InChIKeyKFUDTGMMSAOWNY-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476285
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230968
1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
CID 19883290
3-(chloromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 82778141
2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol
CID 62015459
N,2,2-trimethyl-N-(piperidin-4-ylmethyl)cyclopentan-1-amine
CID 79863443
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
CID 66195421

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine (CID 79716616) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine is CN(CC1CCNCC1)CC1COC2(CCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is KFUDTGMMSAOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(10-13-4-8-16-9-5-13)11-14-12-18-15(19-14)6-2-3-7-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79716616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).