(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol

C16H26N2O — CID 97174994

IUPAC(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@H](CCO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-13(2)17-16(8-9-19)15-11-18(12-15)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyRGEHRZJCFHUJKL-MRXNPFEDSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds7

About (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol

(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol (PubChem CID 97174994) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
PubChem CID97174994
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)N[C@H](CCO)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-13(2)17-16(8-9-19)15-11-18(12-15)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyRGEHRZJCFHUJKL-MRXNPFEDSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylazetidin-3-yl)-3-(methylamino)propan-1-ol
CID 71647998
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
(3R)-3-[(3R)-1-benzylpiperidin-3-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169776
(3S)-3-(1-benzylpiperidin-4-yl)-3-(cyclopropylamino)propan-1-ol
CID 97169784
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
CID 97177449

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol (CID 97174994) is (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol is CC(C)N[C@H](CCO)C1CN(Cc2ccccc2)C1.
What is the InChIKey of (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is RGEHRZJCFHUJKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-16(8-9-19)15-11-18(12-15)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol?
(3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzylazetidin-3-yl)-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 97174994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).