1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

C14H28N6O — CID 126828764

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2nnnn2C(C)(C)C)C1
InChIInChI=1S/C14H28N6O/c1-13(2,3)20-12(15-16-17-20)9-19-8-6-7-14(21,11-19)10-18(4)5/h21H,6-11H2,1-5H3
InChIKeyMEHDVAZJYMRHHD-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.32
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 126828764) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID126828764
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2nnnn2C(C)(C)C)C1
InChIInChI=1S/C14H28N6O/c1-13(2,3)20-12(15-16-17-20)9-19-8-6-7-14(21,11-19)10-18(4)5/h21H,6-11H2,1-5H3
InChIKeyMEHDVAZJYMRHHD-UHFFFAOYSA-N
XLogP0.32
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
CID 1432295
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
(3S)-3-[(dimethylamino)methyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-3-ol
CID 95721451
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
(3R)-1-[[4-(4-chlorophenoxy)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95871785
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
CID 3408909
3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 56905225
1-[4-[[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 99932555
1-[(1-tert-butyltetrazol-5-yl)methyl]-4,5,6,7-tetrahydrobenzotriazole
CID 154865716

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (CID 126828764) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is CN(C)CC1(O)CCCN(Cc2nnnn2C(C)(C)C)C1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is MEHDVAZJYMRHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-13(2,3)20-12(15-16-17-20)9-19-8-6-7-14(21,11-19)10-18(4)5/h21H,6-11H2,1-5H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 296.42 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 126828764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).