N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine

C19H32FN5O — CID 126835581

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CCN(C2CCOC2)CC1
InChIInChI=1S/C19H32FN5O/c1-23-17(2-6-22-23)13-25-12-15(20)10-19(25)11-21-16-3-7-24(8-4-16)18-5-9-26-14-18/h2,6,15-16,18-19,21H,3-5,7-14H2,1H3/t15-,18?,19-/m0/s1
InChIKeyZEUYVEGVWNBWIV-GZMMRYBBSA-N
MW365.50 g/mol
LogP1.18
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine (PubChem CID 126835581) has the molecular formula C19H32FN5O and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine
PubChem CID126835581
Molecular FormulaC19H32FN5O
Molecular Weight365.50 g/mol
Exact Mass365.26
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CCN(C2CCOC2)CC1
InChIInChI=1S/C19H32FN5O/c1-23-17(2-6-22-23)13-25-12-15(20)10-19(25)11-21-16-3-7-24(8-4-16)18-5-9-26-14-18/h2,6,15-16,18-19,21H,3-5,7-14H2,1H3/t15-,18?,19-/m0/s1
InChIKeyZEUYVEGVWNBWIV-GZMMRYBBSA-N
XLogP1.18
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine (CID 126835581) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine is Cn1nccc1CN1C[C@@H](F)C[C@H]1CNC1CCN(C2CCOC2)CC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is ZEUYVEGVWNBWIV-GZMMRYBBSA-N. The full InChI is InChI=1S/C19H32FN5O/c1-23-17(2-6-22-23)13-25-12-15(20)10-19(25)11-21-16-3-7-24(8-4-16)18-5-9-26-14-18/h2,6,15-16,18-19,21H,3-5,7-14H2,1H3/t15-,18?,19-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 365.50 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 126835581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).