2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol

C19H29N3O — CID 95143050

IUPAC2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1cn(C)c2ccccc12)C[C@H]1CCCN(CCO)C1
InChIInChI=1S/C19H29N3O/c1-20(12-16-6-5-9-22(13-16)10-11-23)14-17-15-21(2)19-8-4-3-7-18(17)19/h3-4,7-8,15-16,23H,5-6,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUINVVESXNNCCJD-MRXNPFEDSA-N
MW315.46 g/mol
LogP2.31
Rot. Bonds6

About 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol

2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol (PubChem CID 95143050) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
PubChem CID95143050
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1cn(C)c2ccccc12)C[C@H]1CCCN(CCO)C1
InChIInChI=1S/C19H29N3O/c1-20(12-16-6-5-9-22(13-16)10-11-23)14-17-15-21(2)19-8-4-3-7-18(17)19/h3-4,7-8,15-16,23H,5-6,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUINVVESXNNCCJD-MRXNPFEDSA-N
XLogP2.31
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[methyl-[(2-methyl-3-pyridinyl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 134712578
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
2-methoxy-6-[[methyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenol
CID 45244943
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623834
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 162459944

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol (CID 95143050) is 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol is CN(Cc1cn(C)c2ccccc12)C[C@H]1CCCN(CCO)C1.
What is the InChIKey of 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is UINVVESXNNCCJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20(12-16-6-5-9-22(13-16)10-11-23)14-17-15-21(2)19-8-4-3-7-18(17)19/h3-4,7-8,15-16,23H,5-6,9-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol?
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 315.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95143050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).