(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol

C18H28N2O — CID 97231606

IUPAC(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CN1CCC(N[C@H]2CCc3c(O)cccc32)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)12-20-10-8-14(9-11-20)19-17-7-6-16-15(17)4-3-5-18(16)21/h3-5,13-14,17,19,21H,6-12H2,1-2H3/t17-/m0/s1
InChIKeyOPHFZYNZMJOWHF-KRWDZBQOSA-N
MW288.44 g/mol
LogP3.09
Rot. Bonds4

About (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol

(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 97231606) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID97231606
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(C)CN1CCC(N[C@H]2CCc3c(O)cccc32)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)12-20-10-8-14(9-11-20)19-17-7-6-16-15(17)4-3-5-18(16)21/h3-5,13-14,17,19,21H,6-12H2,1-2H3/t17-/m0/s1
InChIKeyOPHFZYNZMJOWHF-KRWDZBQOSA-N
XLogP3.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol (CID 97231606) is (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol is CC(C)CN1CCC(N[C@H]2CCc3c(O)cccc32)CC1.
What is the InChIKey of (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is OPHFZYNZMJOWHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)12-20-10-8-14(9-11-20)19-17-7-6-16-15(17)4-3-5-18(16)21/h3-5,13-14,17,19,21H,6-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol?
(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 288.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 97231606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).