4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride

C18H30ClN3O2 — CID 171152310

IUPAC4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride
SMILESCc1ccc(CN(C)CC2(O)CCOC3(CCNCC3)C2)nc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-15-3-4-16(20-11-15)12-21(2)14-17(22)7-10-23-18(13-17)5-8-19-9-6-18;/h3-4,11,19,22H,5-10,12-14H2,1-2H3;1H
InChIKeyHOEWUAIMMAFUTO-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.91
Rot. Bonds4

About 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride

4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride (PubChem CID 171152310) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride
PubChem CID171152310
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride
SMILESCc1ccc(CN(C)CC2(O)CCOC3(CCNCC3)C2)nc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-15-3-4-16(20-11-15)12-21(2)14-17(22)7-10-23-18(13-17)5-8-19-9-6-18;/h3-4,11,19,22H,5-10,12-14H2,1-2H3;1H
InChIKeyHOEWUAIMMAFUTO-UHFFFAOYSA-N
XLogP1.91
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride?
The IUPAC name of 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride (CID 171152310) is 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride.
What is the SMILES notation for 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride?
The canonical SMILES for 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride is Cc1ccc(CN(C)CC2(O)CCOC3(CCNCC3)C2)nc1.Cl.
What is the InChIKey of 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride?
The InChIKey is HOEWUAIMMAFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-15-3-4-16(20-11-15)12-21(2)14-17(22)7-10-23-18(13-17)5-8-19-9-6-18;/h3-4,11,19,22H,5-10,12-14H2,1-2H3;1H.
What are the key properties of 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride?
4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol;hydrochloride is sourced from PubChem (CID 171152310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).