(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane

C14H27N3O — CID 97485429

IUPAC(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane
SMILESCN1CCN(C[C@H]2CCC[C@]3(CCNC3)O2)CC1
InChIInChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)11-13-3-2-4-14(18-13)5-6-15-12-14/h13,15H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyYRDNFIUPCRUAMP-ZIAGYGMSSA-N
MW253.39 g/mol
LogP0.54
Rot. Bonds2

About (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane

(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane (PubChem CID 97485429) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane
PubChem CID97485429
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane
SMILESCN1CCN(C[C@H]2CCC[C@]3(CCNC3)O2)CC1
InChIInChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)11-13-3-2-4-14(18-13)5-6-15-12-14/h13,15H,2-12H2,1H3/t13-,14-/m1/s1
InChIKeyYRDNFIUPCRUAMP-ZIAGYGMSSA-N
XLogP0.54
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane (CID 97485429) is (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane is CN1CCN(C[C@H]2CCC[C@]3(CCNC3)O2)CC1.
What is the InChIKey of (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane?
The InChIKey is YRDNFIUPCRUAMP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-7-9-17(10-8-16)11-13-3-2-4-14(18-13)5-6-15-12-14/h13,15H,2-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane?
(5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane has a molecular weight of 253.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 97485429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).