N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C14H29N3O — CID 62655431

IUPACN-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCN1CCCCC1CNCCCN1CCOCC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-2-5-14(16)13-15-6-4-8-17-9-11-18-12-10-17/h14-15H,2-13H2,1H3
InChIKeyBDWIZAUQUAVCDV-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds6

About N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 62655431) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID62655431
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCN1CCCCC1CNCCCN1CCOCC1
InChIInChI=1S/C14H29N3O/c1-16-7-3-2-5-14(16)13-15-6-4-8-17-9-11-18-12-10-17/h14-15H,2-13H2,1H3
InChIKeyBDWIZAUQUAVCDV-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
4-[[(1-methylpiperidin-2-yl)methylamino]methyl]oxan-4-ol
CID 81130255
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 58858763
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 62655431) is N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CN1CCCCC1CNCCCN1CCOCC1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is BDWIZAUQUAVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16-7-3-2-5-14(16)13-15-6-4-8-17-9-11-18-12-10-17/h14-15H,2-13H2,1H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62655431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).