3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol

C18H27N3O — CID 56896282

IUPAC3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2cc3ccccc3n2C)C1
InChIInChI=1S/C18H27N3O/c1-19(2)13-18(22)9-6-10-21(14-18)12-16-11-15-7-4-5-8-17(15)20(16)3/h4-5,7-8,11,22H,6,9-10,12-14H2,1-3H3
InChIKeyCIWVRKNLGNJPBH-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.07
Rot. Bonds4

About 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol

3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol (PubChem CID 56896282) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol
PubChem CID56896282
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2cc3ccccc3n2C)C1
InChIInChI=1S/C18H27N3O/c1-19(2)13-18(22)9-6-10-21(14-18)12-16-11-15-7-4-5-8-17(15)20(16)3/h4-5,7-8,11,22H,6,9-10,12-14H2,1-3H3
InChIKeyCIWVRKNLGNJPBH-UHFFFAOYSA-N
XLogP2.07
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol (CID 56896282) is 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol is CN(C)CC1(O)CCCN(Cc2cc3ccccc3n2C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol?
The InChIKey is CIWVRKNLGNJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19(2)13-18(22)9-6-10-21(14-18)12-16-11-15-7-4-5-8-17(15)20(16)3/h4-5,7-8,11,22H,6,9-10,12-14H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol?
3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol has a molecular weight of 301.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[(1-methylindol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 56896282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).