[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol

C18H23IN2O — CID 163440626

IUPAC[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol
SMILESOCc1cc2cccc(C3CCN(I)CC3)c2n1CC1CC1
InChIInChI=1S/C18H23IN2O/c19-20-8-6-14(7-9-20)17-3-1-2-15-10-16(12-22)21(18(15)17)11-13-4-5-13/h1-3,10,13-14,22H,4-9,11-12H2
InChIKeyAYFPOVHWZRANEW-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.07
Rot. Bonds4

About [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol

[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol (PubChem CID 163440626) has the molecular formula C18H23IN2O and a molecular weight of 410.30 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol
PubChem CID163440626
Molecular FormulaC18H23IN2O
Molecular Weight410.30 g/mol
Exact Mass410.09
IUPAC Name[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol
SMILESOCc1cc2cccc(C3CCN(I)CC3)c2n1CC1CC1
InChIInChI=1S/C18H23IN2O/c19-20-8-6-14(7-9-20)17-3-1-2-15-10-16(12-22)21(18(15)17)11-13-4-5-13/h1-3,10,13-14,22H,4-9,11-12H2
InChIKeyAYFPOVHWZRANEW-UHFFFAOYSA-N
XLogP4.07
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol
CID 170344374
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
CID 105491326
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125
1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
CID 138503156
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082
[1-[2-(1-tritylpiperidin-4-yl)ethyl]indol-2-yl]methanol
CID 21195952
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
CID 117275521
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-2-methoxypropan-1-one
CID 166709460
2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
CID 18946915

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol (CID 163440626) is [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol is OCc1cc2cccc(C3CCN(I)CC3)c2n1CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol?
The InChIKey is AYFPOVHWZRANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN2O/c19-20-8-6-14(7-9-20)17-3-1-2-15-10-16(12-22)21(18(15)17)11-13-4-5-13/h1-3,10,13-14,22H,4-9,11-12H2.
What are the key properties of [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol?
[1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol has a molecular weight of 410.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(1-iodopiperidin-4-yl)indol-2-yl]methanol is sourced from PubChem (CID 163440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).