N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine

C17H32N2O2 — CID 79910833

IUPACN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-18-14-15-3-8-19(9-4-15)16-5-10-21-17(13-16)6-11-20-12-7-17/h15-16,18H,2-14H2,1H3
InChIKeyYOQUNMNCXOGXHE-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.04
Rot. Bonds4

About N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 79910833) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID79910833
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-18-14-15-3-8-19(9-4-15)16-5-10-21-17(13-16)6-11-20-12-7-17/h15-16,18H,2-14H2,1H3
InChIKeyYOQUNMNCXOGXHE-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919582
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
CID 114818937

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine (CID 79910833) is N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is YOQUNMNCXOGXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-18-14-15-3-8-19(9-4-15)16-5-10-21-17(13-16)6-11-20-12-7-17/h15-16,18H,2-14H2,1H3.
What are the key properties of N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 296.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 79910833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).