3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline

C16H26N2O — CID 106633639

IUPAC3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(C)COc1cccc(NCC2CCCCN2)c1
InChIInChI=1S/C16H26N2O/c1-13(2)12-19-16-8-5-7-14(10-16)18-11-15-6-3-4-9-17-15/h5,7-8,10,13,15,17-18H,3-4,6,9,11-12H2,1-2H3
InChIKeyKESJDPJDTRVZNX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.28
Rot. Bonds6

About 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline

3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106633639) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
PubChem CID106633639
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(C)COc1cccc(NCC2CCCCN2)c1
InChIInChI=1S/C16H26N2O/c1-13(2)12-19-16-8-5-7-14(10-16)18-11-15-6-3-4-9-17-15/h5,7-8,10,13,15,17-18H,3-4,6,9,11-12H2,1-2H3
InChIKeyKESJDPJDTRVZNX-UHFFFAOYSA-N
XLogP3.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
CID 54864333
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
CID 64623365
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
CID 106633277
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
3-(4-methylhexyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 134440934

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline (CID 106633639) is 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline is CC(C)COc1cccc(NCC2CCCCN2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is KESJDPJDTRVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-19-16-8-5-7-14(10-16)18-11-15-6-3-4-9-17-15/h5,7-8,10,13,15,17-18H,3-4,6,9,11-12H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline?
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106633639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).