2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine

C15H22FN3 — CID 158610895

IUPAC2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CC[C@H](CC3CC3)[C@H](F)C2)nc1
InChIInChI=1S/C15H22FN3/c1-2-11-8-17-15(18-9-11)19-6-5-13(14(16)10-19)7-12-3-4-12/h8-9,12-14H,2-7,10H2,1H3/t13-,14-/m1/s1
InChIKeyHWVBMXAZRLMMGB-ZIAGYGMSSA-N
MW263.36 g/mol
LogP3.00
Rot. Bonds4

About 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine

2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine (PubChem CID 158610895) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine
PubChem CID158610895
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CC[C@H](CC3CC3)[C@H](F)C2)nc1
InChIInChI=1S/C15H22FN3/c1-2-11-8-17-15(18-9-11)19-6-5-13(14(16)10-19)7-12-3-4-12/h8-9,12-14H,2-7,10H2,1H3/t13-,14-/m1/s1
InChIKeyHWVBMXAZRLMMGB-ZIAGYGMSSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine (CID 158610895) is 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CC[C@H](CC3CC3)[C@H](F)C2)nc1.
What is the InChIKey of 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is HWVBMXAZRLMMGB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22FN3/c1-2-11-8-17-15(18-9-11)19-6-5-13(14(16)10-19)7-12-3-4-12/h8-9,12-14H,2-7,10H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine?
2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 263.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-(cyclopropylmethyl)-3-fluoropiperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 158610895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).