3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine

C16H25N3O — CID 103058461

IUPAC3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c17-16-6-11-20-13-14(16)12-18-7-9-19(10-8-18)15-4-2-1-3-5-15/h1-5,14,16H,6-13,17H2
InChIKeyONQBTTZPCZXERY-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.17
Rot. Bonds3

About 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine

3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine (PubChem CID 103058461) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
PubChem CID103058461
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
SMILESNC1CCOCC1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c17-16-6-11-20-13-14(16)12-18-7-9-19(10-8-18)15-4-2-1-3-5-15/h1-5,14,16H,6-13,17H2
InChIKeyONQBTTZPCZXERY-UHFFFAOYSA-N
XLogP1.17
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66236106
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103059949
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
6-[(4-phenylpiperazin-1-yl)methyl]-2-azaspiro[3.3]heptane
CID 171069732
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperazine
CID 140578547
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
CID 52507274
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-phenylpiperazine
CID 92974402

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine (CID 103058461) is 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine is NC1CCOCC1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine?
The InChIKey is ONQBTTZPCZXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16-6-11-20-13-14(16)12-18-7-9-19(10-8-18)15-4-2-1-3-5-15/h1-5,14,16H,6-13,17H2.
What are the key properties of 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine?
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103058461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).