(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol

C19H29N3O — CID 95871384

IUPAC(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC[C@@](O)(CN(C)C)C3)cc21
InChIInChI=1S/C19H29N3O/c1-4-22-11-8-17-7-6-16(12-18(17)22)13-21-10-5-9-19(23,15-21)14-20(2)3/h6-8,11-12,23H,4-5,9-10,13-15H2,1-3H3/t19-/m1/s1
InChIKeyVNICUNHAXDHKMB-LJQANCHMSA-N
MW315.46 g/mol
LogP2.55
Rot. Bonds5

About (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol

(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol (PubChem CID 95871384) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol
PubChem CID95871384
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol
SMILESCCn1ccc2ccc(CN3CCC[C@@](O)(CN(C)C)C3)cc21
InChIInChI=1S/C19H29N3O/c1-4-22-11-8-17-7-6-16(12-18(17)22)13-21-10-5-9-19(23,15-21)14-20(2)3/h6-8,11-12,23H,4-5,9-10,13-15H2,1-3H3/t19-/m1/s1
InChIKeyVNICUNHAXDHKMB-LJQANCHMSA-N
XLogP2.55
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol (CID 95871384) is (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol is CCn1ccc2ccc(CN3CCC[C@@](O)(CN(C)C)C3)cc21.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol?
The InChIKey is VNICUNHAXDHKMB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-22-11-8-17-7-6-16(12-18(17)22)13-21-10-5-9-19(23,15-21)14-20(2)3/h6-8,11-12,23H,4-5,9-10,13-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol?
(3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol has a molecular weight of 315.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-1-[(1-ethylindol-6-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 95871384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).