N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine

C19H29FN2O — CID 99824763

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESC[C@@H](Cc1ccccc1F)NC1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C19H29FN2O/c1-15(12-17-4-2-3-5-19(17)20)21-18-6-9-22(10-7-18)13-16-8-11-23-14-16/h2-5,15-16,18,21H,6-14H2,1H3/t15-,16-/m0/s1
InChIKeyULQKLXBNQFWOSW-HOTGVXAUSA-N
MW320.45 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 99824763) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
PubChem CID99824763
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESC[C@@H](Cc1ccccc1F)NC1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C19H29FN2O/c1-15(12-17-4-2-3-5-19(17)20)21-18-6-9-22(10-7-18)13-16-8-11-23-14-16/h2-5,15-16,18,21H,6-14H2,1H3/t15-,16-/m0/s1
InChIKeyULQKLXBNQFWOSW-HOTGVXAUSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 86779499
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97322617
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-(morpholin-4-ylmethyl)cyclopentan-1-amine
CID 95143583
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine (CID 99824763) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine is C[C@@H](Cc1ccccc1F)NC1CCN(C[C@@H]2CCOC2)CC1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is ULQKLXBNQFWOSW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-15(12-17-4-2-3-5-19(17)20)21-18-6-9-22(10-7-18)13-16-8-11-23-14-16/h2-5,15-16,18,21H,6-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 320.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 99824763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).