(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine

C14H26N2O — CID 70864159

IUPAC(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
SMILESCC1C[C@@H](C)C(OC[C@@H]2CCCNC2)=CC1N
InChIInChI=1S/C14H26N2O/c1-10-6-11(2)14(7-13(10)15)17-9-12-4-3-5-16-8-12/h7,10-13,16H,3-6,8-9,15H2,1-2H3/t10?,11-,12-,13?/m1/s1
InChIKeyJNIACMHKWPLPKF-QZQSVVMZSA-N
MW238.37 g/mol
LogP1.89
Rot. Bonds3

About (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine

(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine (PubChem CID 70864159) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
PubChem CID70864159
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine
SMILESCC1C[C@@H](C)C(OC[C@@H]2CCCNC2)=CC1N
InChIInChI=1S/C14H26N2O/c1-10-6-11(2)14(7-13(10)15)17-9-12-4-3-5-16-8-12/h7,10-13,16H,3-6,8-9,15H2,1-2H3/t10?,11-,12-,13?/m1/s1
InChIKeyJNIACMHKWPLPKF-QZQSVVMZSA-N
XLogP1.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine?
The IUPAC name of (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine (CID 70864159) is (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine.
What is the SMILES notation for (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine?
The canonical SMILES for (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine is CC1C[C@@H](C)C(OC[C@@H]2CCCNC2)=CC1N.
What is the InChIKey of (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine?
The InChIKey is JNIACMHKWPLPKF-QZQSVVMZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-6-11(2)14(7-13(10)15)17-9-12-4-3-5-16-8-12/h7,10-13,16H,3-6,8-9,15H2,1-2H3/t10?,11-,12-,13?/m1/s1.
What are the key properties of (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine?
(4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6-dimethyl-3-[[(3R)-piperidin-3-yl]methoxy]cyclohex-2-en-1-amine is sourced from PubChem (CID 70864159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).