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

C15H22BrN3O — CID 124886630

IUPAC4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESBrc1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C15H22BrN3O/c16-13-1-5-17-15(9-13)18-14-2-6-19(7-3-14)10-12-4-8-20-11-12/h1,5,9,12,14H,2-4,6-8,10-11H2,(H,17,18)/t12-/m0/s1
InChIKeyBXEHJDQUSBCYQJ-LBPRGKRZSA-N
MW340.27 g/mol
LogP2.76
Rot. Bonds4

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

4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine (PubChem CID 124886630) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
PubChem CID124886630
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESBrc1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C15H22BrN3O/c16-13-1-5-17-15(9-13)18-14-2-6-19(7-3-14)10-12-4-8-20-11-12/h1,5,9,12,14H,2-4,6-8,10-11H2,(H,17,18)/t12-/m0/s1
InChIKeyBXEHJDQUSBCYQJ-LBPRGKRZSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
7-bromo-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinoline
CID 133336011
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95139063

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine (CID 124886630) is 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine is Brc1ccnc(NC2CCN(C[C@@H]3CCOC3)CC2)c1.
What is the InChIKey of 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The InChIKey is BXEHJDQUSBCYQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22BrN3O/c16-13-1-5-17-15(9-13)18-14-2-6-19(7-3-14)10-12-4-8-20-11-12/h1,5,9,12,14H,2-4,6-8,10-11H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine?
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine has a molecular weight of 340.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 124886630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).