(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine

C14H30N2O — CID 69310673

IUPAC(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine
SMILESCC(C)[C@@H](N)COCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)14(15)10-17-9-13-5-7-16(8-6-13)12(3)4/h11-14H,5-10,15H2,1-4H3/t14-/m0/s1
InChIKeyMFTQRZUBSRQVHX-AWEZNQCLSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds6

About (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine

(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine (PubChem CID 69310673) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine
PubChem CID69310673
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine
SMILESCC(C)[C@@H](N)COCC1CCN(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(2)14(15)10-17-9-13-5-7-16(8-6-13)12(3)4/h11-14H,5-10,15H2,1-4H3/t14-/m0/s1
InChIKeyMFTQRZUBSRQVHX-AWEZNQCLSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine?
The IUPAC name of (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine (CID 69310673) is (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine is CC(C)[C@@H](N)COCC1CCN(C(C)C)CC1.
What is the InChIKey of (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine?
The InChIKey is MFTQRZUBSRQVHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)14(15)10-17-9-13-5-7-16(8-6-13)12(3)4/h11-14H,5-10,15H2,1-4H3/t14-/m0/s1.
What are the key properties of (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine?
(2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methoxy]butan-2-amine is sourced from PubChem (CID 69310673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).