4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine

C16H32N4O — CID 140643885

IUPAC4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine
SMILESCC1NC(O[C@H]2CCN(C)C2)CCC1C1CCNCC1N
InChIInChI=1S/C16H32N4O/c1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12/h11-16,18-19H,3-10,17H2,1-2H3/t11?,12-,13?,14?,15?,16?/m0/s1
InChIKeyLLFGQMBTFVDZFP-PLZWVXDASA-N
MW296.46 g/mol
LogP0.36
Rot. Bonds3

About 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine

4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine (PubChem CID 140643885) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine
PubChem CID140643885
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine
SMILESCC1NC(O[C@H]2CCN(C)C2)CCC1C1CCNCC1N
InChIInChI=1S/C16H32N4O/c1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12/h11-16,18-19H,3-10,17H2,1-2H3/t11?,12-,13?,14?,15?,16?/m0/s1
InChIKeyLLFGQMBTFVDZFP-PLZWVXDASA-N
XLogP0.36
TPSA62.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine?
The IUPAC name of 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine (CID 140643885) is 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine?
The canonical SMILES for 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine is CC1NC(O[C@H]2CCN(C)C2)CCC1C1CCNCC1N.
What is the InChIKey of 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine?
The InChIKey is LLFGQMBTFVDZFP-PLZWVXDASA-N. The full InChI is InChI=1S/C16H32N4O/c1-11-13(14-5-7-18-9-15(14)17)3-4-16(19-11)21-12-6-8-20(2)10-12/h11-16,18-19H,3-10,17H2,1-2H3/t11?,12-,13?,14?,15?,16?/m0/s1.
What are the key properties of 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine?
4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine has a molecular weight of 296.46 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypiperidin-3-yl]piperidin-3-amine is sourced from PubChem (CID 140643885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).