(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine

C15H29N3O — CID 138645656

IUPAC(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
SMILESCN1CC[C@@H](O[C@@H]2CCNC(C3CCCC3)C2N)C1
InChIInChI=1S/C15H29N3O/c1-18-9-7-12(10-18)19-13-6-8-17-15(14(13)16)11-4-2-3-5-11/h11-15,17H,2-10,16H2,1H3/t12-,13-,14?,15?/m1/s1
InChIKeyLOCDIBRVMQQUTA-LMRVLLHPSA-N
MW267.42 g/mol
LogP0.96
Rot. Bonds3

About (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine

(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine (PubChem CID 138645656) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
PubChem CID138645656
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
SMILESCN1CC[C@@H](O[C@@H]2CCNC(C3CCCC3)C2N)C1
InChIInChI=1S/C15H29N3O/c1-18-9-7-12(10-18)19-13-6-8-17-15(14(13)16)11-4-2-3-5-11/h11-15,17H,2-10,16H2,1H3/t12-,13-,14?,15?/m1/s1
InChIKeyLOCDIBRVMQQUTA-LMRVLLHPSA-N
XLogP0.96
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The IUPAC name of (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine (CID 138645656) is (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine.
What is the SMILES notation for (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The canonical SMILES for (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine is CN1CC[C@@H](O[C@@H]2CCNC(C3CCCC3)C2N)C1.
What is the InChIKey of (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
The InChIKey is LOCDIBRVMQQUTA-LMRVLLHPSA-N. The full InChI is InChI=1S/C15H29N3O/c1-18-9-7-12(10-18)19-13-6-8-17-15(14(13)16)11-4-2-3-5-11/h11-15,17H,2-10,16H2,1H3/t12-,13-,14?,15?/m1/s1.
What are the key properties of (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine?
(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine is sourced from PubChem (CID 138645656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).