(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine

C16H32N2O2 — CID 170926110

IUPAC(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESCO[C@@H]1C[C@H](N(C)C)CN(CC2(COC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)20-12-16(6-7-16)11-18-9-14(17(3)4)8-15(10-18)19-5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyPPYCGKHVDRWCPC-LSDHHAIUSA-N
MW284.44 g/mol
LogP1.84
Rot. Bonds7

About (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine

(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine (PubChem CID 170926110) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
PubChem CID170926110
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
SMILESCO[C@@H]1C[C@H](N(C)C)CN(CC2(COC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O2/c1-13(2)20-12-16(6-7-16)11-18-9-14(17(3)4)8-15(10-18)19-5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1
InChIKeyPPYCGKHVDRWCPC-LSDHHAIUSA-N
XLogP1.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The IUPAC name of (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine (CID 170926110) is (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The canonical SMILES for (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine is CO[C@@H]1C[C@H](N(C)C)CN(CC2(COC(C)C)CC2)C1.
What is the InChIKey of (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
The InChIKey is PPYCGKHVDRWCPC-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)20-12-16(6-7-16)11-18-9-14(17(3)4)8-15(10-18)19-5/h13-15H,6-12H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine?
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine has a molecular weight of 284.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine is sourced from PubChem (CID 170926110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).