(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine

C18H27FN2O — CID 21362442

IUPAC(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESN[C@@H]1COCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O/c19-17-5-3-14(4-6-17)10-15-2-1-8-21(11-15)12-16-7-9-22-13-18(16)20/h3-6,15-16,18H,1-2,7-13,20H2/t15-,16-,18+/m0/s1
InChIKeyAZHADGHKTASQPQ-XYJFISCASA-N
MW306.42 g/mol
LogP2.44
Rot. Bonds4

About (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine

(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (PubChem CID 21362442) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
PubChem CID21362442
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
SMILESN[C@@H]1COCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN2O/c19-17-5-3-14(4-6-17)10-15-2-1-8-21(11-15)12-16-7-9-22-13-18(16)20/h3-6,15-16,18H,1-2,7-13,20H2/t15-,16-,18+/m0/s1
InChIKeyAZHADGHKTASQPQ-XYJFISCASA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine with MolForge

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Related Compounds

US11214540, Example 21
CID 142475107
US11214540, Example 66
CID 155139308
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338531
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, cis-
CID 3079305
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, trans-
CID 3079309
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, cis-
CID 3079966
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans-
CID 3079968
N-{[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}piperidin-3-amine
CID 56720670
4-(4-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820598
4-(3-Fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane
CID 86820599
3-[(4-Fluorophenyl)methyl]morpholine
CID 82281886
(R)-3-(4-fluorobenzyl)morpholine
CID 95437547

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The IUPAC name of (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine (CID 21362442) is (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine.
What is the SMILES notation for (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The canonical SMILES for (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is N[C@@H]1COCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
The InChIKey is AZHADGHKTASQPQ-XYJFISCASA-N. The full InChI is InChI=1S/C18H27FN2O/c19-17-5-3-14(4-6-17)10-15-2-1-8-21(11-15)12-16-7-9-22-13-18(16)20/h3-6,15-16,18H,1-2,7-13,20H2/t15-,16-,18+/m0/s1.
What are the key properties of (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine?
(3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine has a molecular weight of 306.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine is sourced from PubChem (CID 21362442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).