4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

C14H28N4O — CID 130280162

IUPAC4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCN1CCOC2(CCN(C3CCNCC3N)CC2)C1
InChIInChI=1S/C14H28N4O/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15/h12-13,16H,2-11,15H2,1H3
InChIKeyVWQIBNQAIYXESK-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.53
Rot. Bonds1

About 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (PubChem CID 130280162) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
PubChem CID130280162
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCN1CCOC2(CCN(C3CCNCC3N)CC2)C1
InChIInChI=1S/C14H28N4O/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15/h12-13,16H,2-11,15H2,1H3
InChIKeyVWQIBNQAIYXESK-UHFFFAOYSA-N
XLogP-0.53
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The IUPAC name of 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (CID 130280162) is 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.
What is the SMILES notation for 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The canonical SMILES for 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is CN1CCOC2(CCN(C3CCNCC3N)CC2)C1.
What is the InChIKey of 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The InChIKey is VWQIBNQAIYXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-17-8-9-19-14(11-17)3-6-18(7-4-14)13-2-5-16-10-12(13)15/h12-13,16H,2-11,15H2,1H3.
What are the key properties of 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine has a molecular weight of 268.40 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 130280162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).