(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine

C9H20N2O — CID 134168187

IUPAC(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
SMILESCO[C@H]1CN(C(C)C)CC[C@H]1N
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-4-8(10)9(6-11)12-3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m1/s1
InChIKeyUVOATFALDFVSPI-BDAKNGLRSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds2

About (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine

(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine (PubChem CID 134168187) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
PubChem CID134168187
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
SMILESCO[C@H]1CN(C(C)C)CC[C@H]1N
InChIInChI=1S/C9H20N2O/c1-7(2)11-5-4-8(10)9(6-11)12-3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m1/s1
InChIKeyUVOATFALDFVSPI-BDAKNGLRSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-1-propan-2-ylpiperidine
CID 126655674
2-[(3R)-4-amino-1-propan-2-ylpiperidin-3-yl]oxyethanol
CID 134177883
(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
CID 134177721
ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
CID 145443384
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231191
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
CID 153295477
(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
CID 134267302
3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine
CID 170577525
CID 58530153
CID 58530153
4-(aminomethyl)-1-propan-2-ylpiperidin-3-ol
CID 83846266
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine (CID 134168187) is (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine is CO[C@H]1CN(C(C)C)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine?
The InChIKey is UVOATFALDFVSPI-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-5-4-8(10)9(6-11)12-3/h7-9H,4-6,10H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine?
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 134168187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).