(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C16H30N2O — CID 97240050

IUPAC(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@H](O)CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-7-9-18(10-8-14)13-16(19)12-17-11-15-5-3-2-4-6-15/h2-3,14-17,19H,4-13H2,1H3/t15-,16+/m0/s1
InChIKeyMLYUQXLQOWOFGW-JKSUJKDBSA-N
MW266.43 g/mol
LogP2.03
Rot. Bonds6

About (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 97240050) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID97240050
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(C[C@H](O)CNC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-7-9-18(10-8-14)13-16(19)12-17-11-15-5-3-2-4-6-15/h2-3,14-17,19H,4-13H2,1H3/t15-,16+/m0/s1
InChIKeyMLYUQXLQOWOFGW-JKSUJKDBSA-N
XLogP2.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 97240050) is (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(C[C@H](O)CNC[C@H]2CC=CCC2)CC1.
What is the InChIKey of (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is MLYUQXLQOWOFGW-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-7-9-18(10-8-14)13-16(19)12-17-11-15-5-3-2-4-6-15/h2-3,14-17,19H,4-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R)-cyclohex-3-en-1-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 97240050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).